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Shanghai Yingxuan Chempharm Co., Ltd.

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Profile: Shanghai Yingxuan Chempharm Co., Ltd. is a manufacturer of glyco-compounds, heterocyclic compounds, amino acids, peptides, alkaloids, and various drug intermediates.

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• PLX4032
IUPAC Name: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide | CAS Registry Number: 1029872-54-5
Synonyms: Vemurafenib, Zelboraf, PLX-4032, RG7204, 918504-65-1, PLX 4032, UNII-207SMY3FQT, RO5185426, CHEBI:63637, RG-7204, RO-5185426, N-(3-(5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamide, N-[3-[[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-difluorophenyl]-1-PropanesulfonaMide, PLX4032, RG7204, RO5185426, 1029872-54-5, 1-PROPANESULFONAMIDE, N-[3-[[5-(4-CHLOROPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL]CARBONYL]-2,4-DIFLUOROPHENYL]-, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide, RG7204, R7204, RO5185426, PLX4032, PLX-4032, Zelboraf (TN), N-(3-((5-(4-Chlorophenyl)-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4- difluorophenyl)propane-1-sulfonamide, n-(3-((5-(4-chlorophenyl)-1h-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)-1-propanesulfonamide

Molecular Formula: C23H18ClF2N3O3SMolecular Weight: 489.922126 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: GPXBXXGIAQBQNI-UHFFFAOYSA-N

• Pomalidomide
IUPAC Name: 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione | CAS Registry Number: 19171-19-8
Synonyms: Actimid, 4-Aminothalidomide, IMiD1, IMiD 3, UNII-D2UX06XLB5, IMID-4047, CDC-394, CHEBI:163100, CC-4047, CID134780, CC 4047, 3-Amino-N-(2,6-dioxo-3-piperidyl)phthalimide, Phthalimide, 3-amino-N-(2,6-dioxo-3-piperidyl)-, 4-Amino-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione, 4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione, 4-Amino-2-(2,6-dioxo-piperidin-3-yl)-isoindole-1,3-dione, 1H-Isoindole-1,3(2H)-dione, 4-amino-2-(2,6-dioxo-3-piperidinyl)-, 443912-23-0, 443919-33-3

Molecular Formula: C13H11N3O4Molecular Weight: 273.244140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: UVSMNLNDYGZFPF-UHFFFAOYSA-N

• PP242
IUPAC Name: 2-(4-amino-1-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidin-3-ylidene)indol-5-ol | CAS Registry Number: 1092351-67-1
Synonyms: SureCN298922, KB-59945

Molecular Formula: C16H16N6OMolecular Weight: 308.337840 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: MTICIDWIKCANDD-UHFFFAOYSA-N

• Praeruptorin A
IUPAC Name: nitric acid | CAS Registry Number: 73069-25-7
Synonyms: NITRIC ACID, Salpetersaeure, Nital, 7697-37-2, Acidum nitricum, Nitrous fumes, Aqua fortis, Azotic acid, Hydrogen nitrate, Nitryl hydroxide, Engraver's acid, Nitric acid solution, RFNA, CHEBI:48107, Nitric acid, anhydrous, Red fuming nitric acid, Azotowy kwas [Polish], Salpetersaure [German], Acide nitrique [French], Acido nitrico [Italian]

Molecular Formula: HNO3Molecular Weight: 63.012840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GRYLNZFGIOXLOG-UHFFFAOYSA-N

• Praeruptorin B
IUPAC Name: [8,8-dimethyl-9-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-9,10-dihydropyrano[2,3-h]chromen-10-yl] (E)-2-methylbut-2-enoate | CAS Registry Number: 81740-07-0
Synonyms: Anomalin, MolPort-001-891-995, BAS 00015449, CID5319259, 2-Butenoic acid, 2-methyl-, 9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo(1,2-b:3,4-b')dipyran-9,10-diyl ester, (Z)-

Molecular Formula: C24H26O7Molecular Weight: 426.459040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: PNTWXEIQXBRCPS-FNCQTZNRSA-N

• Pristimerin
IUPAC Name: methyl (2R,4aS,6aS,6aR,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate | CAS Registry Number: 1258-84-0
Synonyms: Celastrol-methylether, Spectrum_001558, SpecPlus_000649, Spectrum2_000546, Spectrum3_001651, Spectrum4_001681, Spectrum5_000322, BSPBio_003401, KBioGR_001942, KBioSS_002038, DivK1c_006745, SPECTRUM1504181, SPBio_000591, MEGxp0_000269, ACon0_000836, KBio1_001689, KBio2_002038, KBio2_004606, KBio2_007174, KBio3_002621

Molecular Formula: C30H40O4Molecular Weight: 464.636200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JFACETXYABVHFD-WXPPGMDDSA-N

• Protopine
Synonyms: protopine, Corydinine, Macleyine, Fumarine, Biflorine, Alk-3, nchembio.105-comp25, Oprea1_718853, Oprea1_722246, HSDB 3527, PROTOPINE HYDROCHLORIDE, STOCK1N-10749, 6164-47-2 (hydrochloride), ACon1_001550, C20H19NO5, CHEBI:16415, EINECS 204-999-6, CID4970, MolPort-000-882-087, AIDS040935

Molecular Formula: C20H19NO5Molecular Weight: 353.368560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: GPTFURBXHJWNHR-UHFFFAOYSA-N

• Psoralen
IUPAC Name: furo[3,2-g]chromen-7-one | CAS Registry Number: 66-97-7
Synonyms: Ficusin, Furocoumarin, Psoralene, Psorline-P, Phytoalexin, Psolaren, 6,7-Furanocoumarin, Furo(3,2-g)-coumarin, PHYTOALEXIN-CMPD, Furo[3,2-g]coumarin, 7H-Furo[3,2-g][1]benzopyran-7-one, CCRIS 4343, Furo(2',3',7,6)coumarin, Furo(4',5',6,7)coumarin, Furo[4',5':6,7]coumarin, Oprea1_841692, HSDB 3528, MLS001304059, P8399_SIGMA, 7H-Furo[3,2-g]chromen-7-one

Molecular Formula: C11H6O3Molecular Weight: 186.163540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZCCUUQDIBDJBTK-UHFFFAOYSA-N

• PTEROSTILBENE(PRIMARY STANDARD)
IUPAC Name: 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol | CAS Registry Number: 537-42-8
Synonyms: Pterostilbene, pterostilben, Pterocarpus marsupium, 3',5'-dimethoxy-resveratrol, MLS000759434, MLS000863581, P1499_SIGMA, 3',5'-Dimethoxy-4-stilbenol, 3,5-Dimethoxy-4'-hydroxystilbene, MEGxp0_000345, 3',5'-dimethoxy-4E-stilbenol, ACon1_000305, CHEBI:237532, MolPort-000-881-877, HMS2051B10, 3',5'-dimethoxy-4trans-stilbenol, CPD-6959, Pterostilbene, Pterocarpus marsupium, LMPK13090015, NSC613735

Molecular Formula: C16H16O3Molecular Weight: 256.296440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VLEUZFDZJKSGMX-ONEGZZNKSA-N

• Pyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoic acid, 1,2,3,4,6,7,12,12a-octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxo-, 1,1-dimethylethyl ester, (3S,6S,12aS)-
Synonyms: Ko 143, tert-Butyl 3-((3S,6S,12aS)-6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)propanoate, Ko-143, Ko143, CHEMBL488910, CTK8C0556, CHEBI:551889, ABP000297, ANW-64890, AKOS016005202, BCP9000818, CS-0298, AK103335, HY-10010, KB-78029, FT-0670686, Ko 143|461054-93-3|Ko143, S14-2693, (3S,6S,12aS)-,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoic Acid 1,1-Dimethylethyl Ester, (3S,6S,12AS)-1,2,3,4,6,7,12,12A-OCTAHYDRO-9-METHOXY-6-(2-METHYLPROPYL)-1,4-DIOXOPYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-3-PROPANOIC ACID 1,1-DIMETHYLETHYL ESTER

Molecular Formula: C26H35N3O5Molecular Weight: 469.573200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NXNRAECHCJZNRF-JBACZVJFSA-N

• Pyrido[2,3-D]pyrimidin-7(8H)-One, 6-Acetyl-8-Cyclopentyl-5-Methyl-2-[[5-(1-Piperazinyl)-2-Pyridinyl]amino]-
IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one | CAS Registry Number: 571190-30-2
Synonyms: 2euf, CHEBI:419858, CID5330286, PD-0332991, PD-332991, PD0332991, PD 0332991, LQQ, 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one, 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-

Molecular Formula: C24H29N7O2Molecular Weight: 447.532760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: AHJRHEGDXFFMBM-UHFFFAOYSA-N

• R-(?)-2-(4-Isobutylphenyl)propionyl Methansulphonamide L-Lysine Salt (CAS: 446024-42-6)
• R406
IUPAC Name: benzenesulfonate;6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one | CAS Registry Number: 841290-81-1
Synonyms: KB-80318

Molecular Formula: C28H28FN6O8S-Molecular Weight: 627.620723 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 14

InChIKey: UXDRJPYSTZHIOE-UHFFFAOYSA-M

• Raltegravir base
IUPAC Name: N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-5-hydroxy-1-methyl-6-oxopyrimidin-2-yl]propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide | CAS Registry Number: 518048-05-0
Synonyms: Raltegravir, Isentress, MK-0518, Isentress(TM), UNII-22VKV8053U, S2005_Selleck, CHEMBL254316, MK-518, N-(2-(4-(4-fluorobenzylcarbamoyl), AC-2062, MK 0518, NCGC00184997-01, AB1004864, D06676, K-0518, DSSTox_CID_28586, DSSTox_RID_82857, DSSTox_GSID_48660, I14-1973, CHEMBL1162988

Molecular Formula: C20H21FN6O5Molecular Weight: 444.416343 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: CZFFBEXEKNGXKS-UHFFFAOYSA-N

• REGADENOSON
IUPAC Name: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N-methylpyrazole-4-carboxamide hydrate | CAS Registry Number: 875148-45-1
Synonyms: Lexiscan, CVT 3146

Molecular Formula: C15H20N8O6Molecular Weight: 408.369300 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: CDQVVPUXSPZONN-WPPLYIOHSA-N

• Resveratrol
IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | CAS Registry Number: 501-36-0
Synonyms: resveratrol, trans-resveratrol, (E)-resveratrol, 3,4',5-Stilbenetriol, 3,4',5-Trihydroxystilbene, Prestwick_619, 3,5,4'-Trihydroxystilbene, nchembio.140-comp2, Prestwick2_000508, Prestwick3_000508, Spectrum5_000552, Lopac0_001111, BSPBio_000435, BSPBio_001114, BSPBio_003461, 3,4',5-trihydroxy-stilbene, MLS000069735, MLS001055357, MLS001076538, R5010_SIGMA

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

• Rhodiola Rosea Powdered Extract
IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol | CAS Registry Number: 10338-51-9
Synonyms: Salidroside, Rhodioloside, Rhodosin, Tyrosol glucoside, Ambap2363, Glucopyranoside, p-hydroxyphenethyl, MEGxp0_000478, ACon1_000366, CID159278, NCGC00169145-01, LS-71547, 2-(4-Hydroxyphenyl)ethyl beta-D-glucopyranoside, beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, C06046, p-Hydroxyphenethyl alcohol 1-O-beta-D-glucoside

Molecular Formula: C14H20O7Molecular Weight: 300.304400 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: ILRCGYURZSFMEG-RKQHYHRCSA-N

• RO 25-6981 MALEATE; (AR,BS)-A-(4-HYDROXYPHENYL)-SS-METHYL-4-BENZYL-1- PIPERIDINEPROPANOL MALEATE
IUPAC Name: 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol;but-2-enedioic acid | CAS Registry Number: 169274-78-6
Synonyms: KB-02364, (aR,bS)-a-(4-Hydroxyphenyl)-b-methyl-4-(phenylmethyl)-1-piperidinepropanol maleate

Molecular Formula: C26H33NO6Molecular Weight: 455.543320 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: FYJZEHCQSUBZDY-OTCZLQCGSA-N

• Rocuronium Bromide
IUPAC Name: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide | CAS Registry Number: 119302-91-9
Synonyms: Zemuron, Esmeron, Eslax, ROCURONIUM BROMIDE, Zemuron (TN), Org-9426, Rocuronium bromide (JAN/USAN/INN), D00765, (2beta,3alpha,5alpha,16beta,17beta)-17-(acetyloxy)-3-hydroxy-2-morpholin-4-yl-16-(1-prop-2-en-1-ylpyrrolidinium-1-yl)androstane bromide

Molecular Formula: C32H53BrN2O4Molecular Weight: 609.678220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: OYTJKRAYGYRUJK-FMCCZJBLSA-M

• Ropinirole HCL
IUPAC Name: 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one hydrochloride | CAS Registry Number: 91374-20-8
Synonyms: ReQuip, Ropinirole hydrochloride, Adartrel, Repreve, ReQuip CR, ReQuip LP, ReQuip XL, ReQuip XR, Requip (TN), JZP-7, C16H24N2O.HCl, Ropinirole hydrochloride [USAN], NVD-434, SK&F 101468-A, Ropinirole hydrochloride (JAN/USAN), SK&F-101468A, NCGC00094373-01, LS-83828, TL8005858, EU-0101101

Molecular Formula: C16H25ClN2OMolecular Weight: 296.835500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XDXHAEQXIBQUEZ-UHFFFAOYSA-N

• SB431542
IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide | CAS Registry Number: 301836-41-9
Synonyms: SB-431542, SB 431542, 4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide, SB-431542-A, Bio2_000852, S1067_Selleck, Kinome_3428, PubChem22438, SureCN155156, SureCN310028, AC1ND2U2, BSPBio_001064, KBioGR_000404, KBioSS_000404, CHEMBL440084, QCR-42, BCBcMAP01_000166, CTK8B8498, KBio2_000404, KBio2_002972

Molecular Formula: C22H16N4O3Molecular Weight: 384.387440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHYUGAJXYORMHI-UHFFFAOYSA-N

• Securinine
Synonyms: Virosecurinine, Securinin, Securinan-11-one, Securinine, (-)-, Spectrum2_000669, Spectrum3_001977, UPCMLD-DP039, BSPBio_003577, SPECTRUM1505334, SPBio_000737, UPCMLD-DP039:001, KBio3_002957, AIDS002233, AIDS-002233, NSC107413, NSC107414, SBB005941, NCGC00142506-01, NCGC00142506-03, NCGC00142506-04

Molecular Formula: C13H15NO2Molecular Weight: 217.263700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SWZMSZQQJRKFBP-WZRBSPASSA-N

• SEMAXINIB; 3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLENE]-1,3-DIHYDRO-2H-INDOL-2-ONE
IUPAC Name: (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one | CAS Registry Number: 204005-46-9
Synonyms: Semaxanib, Semaxinib, Semoxind, nchembio778-comp2, Semaxanib (USAN/INN), SU 5416, methylene]-2H-indol-2-one, UNII-71IA9S35AJ, Lopac0_001110, SU5416, MLS001074896, MLS001332519, MLS001332520, S8442_SIGMA, TSU-16, CHEBI:112911, MolPort-003-959-606, HMS3229O13, SU-5416, HSCI1_000303

Molecular Formula: C15H14N2OMolecular Weight: 238.284460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: WUWDLXZGHZSWQZ-WQLSENKSSA-N

• Seocalcitol
IUPAC Name: (1R,3S,5E)-5-[(2Z)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 134404-52-7
Synonyms: Seocalcitol [INN:BAN], C30H46O3, EB 1089, EB-1089, EB1089, CID6435810, LS-56804, 1(S),3(R)-Dihydroxy-20(R)-(5'-ethyl-5'-hydroxyhepta-1'(E),3'(E)-dien-1'-yl)-9,10-secopregna-5(Z),7(E),10(19)-triene, 1,3-Cyclohexanediol, 5-((1-(6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R-(1alpha(1R*,2E,4E),3abeta,4E(1R*,3S*,5Z),7aalpha))-, 1,3-Cyclohexanediol, 5-((2E)-((1R,3aS,7aR)-1-((1R,2E,4E)-6-ethyl-6-hydroxy-1-methyl-2,4-octadienyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1R,3S,5Z)-, (5Z,7E,22E,24E)-24a,26a,27a-Trihomo-9,10-secocholesta-5,7,10(19),22,24-pentaene-1alpha,3beta,25-triol

Molecular Formula: C30H46O3Molecular Weight: 454.684440 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LVLLALCJVJNGQQ-QMWUBLQMSA-N

• Shikimic Acid
IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid | CAS Registry Number: 138-59-0
Synonyms: shikimic acid, shikimate, L-Shikimic acid, 2aay, (-)-Shikimic acid, Bracken fern toxic component, Spectrum_001232, 1we2, 2aa9, SpecPlus_000488, Spectrum2_001508, Spectrum3_001541, Spectrum4_001853, Spectrum5_000386, CCRIS 7681, HSDB 3537, BSPBio_002982, KBioGR_002287, KBioSS_001712, DivK1c_006584

Molecular Formula: C7H10O5Molecular Weight: 174.151300 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: JXOHGGNKMLTUBP-HSUXUTPPSA-N

• SN-38 GLUCURONIDE
Synonyms: SN-38 Glucuronide, (4S)-4,11-Diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl |A-D-Glucopyranosiduronic Acid, 4,11-Diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl |A-D-Glucopyranosiduronic Acid

Molecular Formula: C28H28N2O11Molecular Weight: 568.528720 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: SSJQVDUAKDRWTA-TUPTZLRNSA-N

• Stepronin
IUPAC Name: 2-[2-(thiophene-2-carbonylsulfanyl)propanoylamino]acetic acid | CAS Registry Number: 72324-18-6
Synonyms: Prostenoglycine, Tiofacic, Tiase, Bronco-plus, Broncoplus, Stepronin [INN], TTPG, Stepronin (INN), Stepronine [INN-French], Steproninum [INN-Latin], Stepronino [INN-Spanish], stepronine lysine salt, C10H11NO4S2, EINECS 276-587-4, 2-(alpha-Thenoylthio)propionylglycine, 2-(alpha-theonyl)thiopropionylglycine, DB01423, LS-72804, N-(2-(2-Thienylcarbonylthio)propionyl)glycin, TS 5010680

Molecular Formula: C10H11NO4S2Molecular Weight: 273.328640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JNYSEDHQJCOWQU-UHFFFAOYSA-N

• Sulforaphene
IUPAC Name: (E)-4-isothiocyanato-1-methylsulfinylbut-1-ene | CAS Registry Number: 592-95-0
Synonyms: Sulforaphen, Sulphoraphen, Raphanin, Sativin, CHEBI:175338, CID6433206, 4-Isothiocyanato-1-(methylsulfinyl)-1-butene, LS-86429, 1-Butene, 4-isothiocyanato-1-(methylsulfinyl)-, (E)-4-Isothiocyanato-1-methanesulfinyl-but-1-ene, (1E)-4-isothiocyanato-1-(methylsulfinyl)-1-butene, 1-Butene, 4-isothiocyanato-1-(methylsulfinyl)- (9CI), ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)-3-BUTENYL ESTER

Molecular Formula: C6H9NOS2Molecular Weight: 175.271760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QKGJFQMGPDVOQE-HWKANZROSA-N

• Swertiamarin
IUPAC Name: (4aR,5R,6S)-5-ethenyl-4a-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-1-one | CAS Registry Number: 17388-39-5
Synonyms: MEGxp0_000871, ACon1_000546, NCGC00168975-01, TL8001379, C09800

Molecular Formula: C16H22O10Molecular Weight: 374.339880 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 10

InChIKey: HEYZWPRKKUGDCR-QBXMEVCASA-N

• Tacalcitol
IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol | CAS Registry Number: 57333-96-7
Synonyms: tacalcitol, Curatoderm, Bonalfa, Vellutan, Apsor, Tacalcitol [INN:JAN], Tacalcitolum [INN-Latin], TV-02HS, CCRIS 4211, TV-02, TV-02H, 1,24(R)-Dihydroxyvitamin D3, TV 02, 1alpha,24(R)-Dihydroxyvitamin D3, PRI 2191, PRI-2191, LMST03020256, 1-alpha,24(R)-Dihydroxyvitamin D3, (+)-(5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol, (1-alpha,3-beta,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: BJYLYJCXYAMOFT-RSFVBTMBSA-N

• Talibegron Hydrochloride
IUPAC Name: 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid hydrochloride | CAS Registry Number: 178600-17-4
Synonyms: Talibegron HCl, Talibegron hydrochloride, ICID2079, C18H21NO4.HCl, UNII-N251Q608VU, Talibegron hydrochloride (USAN), Talibegron hydrochloride [USAN], SCH 417849, ZD 2079, ZD-2079, CID158793, ZD2079, NCGC00092315-01, LS-28874, D02702, Benzeneacetic acid, 4-(2-(((2R)-2-hydroxy-2-phenylethyl)amino)ethoxy)-, hydrochloride, Benzeneacetic acid, 4-(2-((2-hydroxy-2-phenylethyl)amino)ethoxy)-, hydrochloride, (R)-

Molecular Formula: C18H22ClNO4Molecular Weight: 351.824580 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: KCEFVYIWOQSJCH-LMOVPXPDSA-N

• Taltirelin
IUPAC Name: (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide | CAS Registry Number: 103300-74-9
Synonyms: Ceredist, Taltirelin hydrate, C17H23N7O5.H2O, TA 0910, TA-0910, NCGC00181033-01, LS-118853, LS-187218, (1-methyl-4,5-dihydroorotyl)-histidyl-prolinamide, (-)-N-(((S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide, L-Prolinamide, N-(((4S)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, L-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, L-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-,(S)-, hydrate (1:4)

Molecular Formula: C17H23N7O5Molecular Weight: 405.408420 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: LQZAIAZUDWIVPM-SRVKXCTJSA-N

• Tandutinib
IUPAC Name: 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide | CAS Registry Number: 387867-13-2
Synonyms: Tandutinib (USAN/INN), MLN-518, MLN 518, MLN-0518, NSC726292, CID3038522, CT53518, CT 53518, CT-53518, D06005, (4-(6-Methoxy-7-(3-piperidylpropoxy)quinazolin-4-yl)piperazinyl)-N-(4-(methylethoxy)phenyl)carboxamide, 1-Piperazinecarboxamide, 4-(6-methoxy-7-(3-(1-piperidinyl)propoxy)-4-quinazolinyl)-N-(4-(1-methylethoxy)phenyl)-

Molecular Formula: C31H42N6O4Molecular Weight: 562.702980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: UXXQOJXBIDBUAC-UHFFFAOYSA-N

• Taxifolin; Dihydroquercetin
IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one | CAS Registry Number: 480-18-2
Synonyms: dihydroquercetin, Taxifoliol, Distylin, TAXIFOLIN, Catechin hydrate, (+)-Taxifolin, trans-Dihydroquercetin, (+)-Dihydroquercetin, Dihydroquercetin hydrate, TAXIFOLIN-(+), (2R,3R)-Dihydroquercetin, (+/-)-Taxifolin hydrate, MLS000759526, MLS000759539, MLS001066341, MLS001074712, MLS001424044, MLS002153142, T4512_SIGMA, MEGxp0_000741

Molecular Formula: C15H12O7Molecular Weight: 304.251580 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: CXQWRCVTCMQVQX-LSDHHAIUSA-N

• TEBIPENEMUM PIVOXILUM
IUPAC Name: (4R,5S,6S)-3-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | CAS Registry Number: 161715-24-8
Synonyms: Tebipenem, Tebipenem [INN], UNII-95AK1A52I8, CHEBI:673120, CID9800194, CID 9800194

Molecular Formula: C16H21N3O4S2Molecular Weight: 383.485640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: GXXLUDOKHXEFBQ-YJFSRANCSA-N

• Temocapril Hydrochloride
IUPAC Name: 2-[(2S,6R)-6-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl]acetic acid hydrochloride | CAS Registry Number: 110221-44-8
Synonyms: Acecol, temocapril hydrochloride, Acecol (TN), CS-622, Temocapril hydrochloride (JAN/USAN), RS-5142, TL8000319, D01119

Molecular Formula: C23H29ClN2O5S2Molecular Weight: 513.069760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XDDQNOKKZKHBIX-ASBZXGSUSA-N

• Temoporfin
IUPAC Name: 3-[10,15,20-tris(3-hydroxyphenyl)-2,3,22,24-tetrahydroporphyrin-5-yl]phenol | CAS Registry Number: 122341-38-2
Synonyms: Foscan, TEMOPORFIN, m-THPC, meso-Tetrahydroxyphenylchlorin, Temoporfin (USAN/INN), Temoporfin [USAN:BAN:INN], CHEBI:9437, C44H34N4O4, CID60751, LS-172529, C11730, D06066, 3,3',3'',3'''-(7,8-Dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol, 2,3-dihydro-5,10,15,20-tetra(m-hydroxyphenyl)porphyrin, Phenol, 3,3',3'',3'''-(7,8-dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, 3,3',3'',3'''-(2,3-dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol, 3,3',3',3'''-(7,8-Dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol, EF9, 3,3',3'',3'''-(7,8-dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakisphenol, Phenol, 3,3',3',3'''-(7,8-dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-

Molecular Formula: C44H32N4O4Molecular Weight: 680.749280 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 8

InChIKey: LYPFDBRUNKHDGX-UHFFFAOYSA-N

• Tenatoprazole
IUPAC Name: 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine | CAS Registry Number: 113712-98-4
Synonyms: Ulsacare, Protop, TU 199, TU-199, NCGC00167521-01, DSSTox_CID_26687, DSSTox_RID_81821, DSSTox_GSID_46687, CAS-113712-98-4, Benatoprazole, 5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1H-imidazo(4,5-b)pyridine, 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-imidazo[4,5-b]pyridine, AC1LCS6N, AGN-PC-00BFPF, Tenatoprazole (JAN/INN), SureCN323288, SureCN3774660, UNII-RE0689TX2K, Bio-0809, sTU-199

Molecular Formula: C16H18N4O3SMolecular Weight: 346.404120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: ZBFDAUIVDSSISP-UHFFFAOYSA-N

• Tetrandrine
Synonyms: tetrandrine, D-Tetrandrine, Fanchinine, Tetrandrin, (+)-Tetrandrine, Sinomenine A, hanjisong, tetradrine, DL-Tetrandine, Sinomenine, Hanfangchin A, (S,S)-Tetrandrine, DL-Tetandrine, (+-)-Tetrandine, (+/-)-Tetrandine, nchembio.105-comp5, Spectrum_000315, TETRANDRINE, (DL), (.+-.)-Tetrandrine, SpecPlus_000661

Molecular Formula: C38H42N2O6Molecular Weight: 622.749880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: WVTKBKWTSCPRNU-KYJUHHDHSA-N

• Thieno[2,3-b]pyridine-5-carbonitrile, 6,7-dihydro-4-hydroxy-3-(2'-hydroxy[1,1'-biphenyl]-4-yl)-6-oxo-
IUPAC Name: 4-hydroxy-3-[4-(2-hydroxyphenyl)phenyl]-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile | CAS Registry Number: 844499-71-4
Synonyms: A-769662, A 769662, 4-Hydroxy-3-(2'-hydroxy-1,1'-biphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, PubChem16661, cc-24, SureCN2669403, CHEMBL512504, CTK8E9331, CHEBI:546780, BCPP000450, ACT04835, AKOS015902474, BCP9000208, QC-6154, NCGC00250373-01, AK117003, KB-47022, FT-0653453, ST51054123, X7459

Molecular Formula: C20H12N2O3SMolecular Weight: 360.385880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: CTESJDQKVOEUOY-UHFFFAOYSA-N

• Thieno[3,2-d]pyrimidine, 2-(1H-indazol-4-yl)-6-[[4-(methylsulfonyl)-1-piperazinyl]methyl]-4-(4-morpholinyl)-
IUPAC Name: 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine | CAS Registry Number: 957054-30-7
Synonyms: GDC-0941, GDC0941, GDC 0941, Pictrelisib, S1065_Selleck, Kinome_3719, CHEMBL521851, 4-(2-(1H-Indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]pyrimidin-4-yl)morpholine, CHEBI:65326, GDC-0941, GDC0941, 2-(1H-Indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, 4-[2-(1H-indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine, GD9, 2-(1h-Indazol-4-Yl)-6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Yl-Thieno[3,2-D]pyrimidine, 4-(2-(1H-indazol-4-yl)-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno(3,2-d)pyrimidin-4-yl)morpholine, Pictrelisib [INN], Pictilisib (USAN), PICTILISIB, PubChem16427, nchembio.293-comp12

Molecular Formula: C23H27N7O3S2Molecular Weight: 513.635580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 10

InChIKey: LHNIIDJUOCFXAP-UHFFFAOYSA-N

• Tianeptine Sodium
Synonyms: Tianeptine sodium salt, EINECS 250-059-3, 66981-73-5, Sodium 7-((3-chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoate S,S-dioxide

Molecular Formula: C21H25ClN2NaO4S-Molecular Weight: 459.941970 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: KBNZQVDKURREAX-UHFFFAOYSA-L

• Tiaprofenic Acid
IUPAC Name: 2-[5-(benzoyl)thiophen-2-yl]propanoic acid | CAS Registry Number: 33005-95-7
Synonyms: tiaprofenic acid, Tiaprofensaeure, Surgam, Prestwick_814, Surgam (TN), Prestwick0_000496, Prestwick1_000496, Prestwick2_000496, Prestwick3_000496, Acide tiaprofenique [INN-French], Acido tiaprofenico [INN-Spanish], Acidum tiaprofenicum [INN-Latin], BSPBio_000391, MLS002153845, Tiaprofenic acid (JAN/INN), SPBio_002312, 2-(5-Benzyl-2-thienyl)propionsaeure, BPBio1_000431, C14H12O3S, EINECS 251-329-3

Molecular Formula: C14H12O3SMolecular Weight: 260.308280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GUHPRPJDBZHYCJ-UHFFFAOYSA-N

• Ticagrelor
IUPAC Name: (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol | CAS Registry Number: 274693-27-5
Synonyms: Brilinta, Brilique, AZD-6140, TICARGRELOR, AZD6140, CHEBI:68558, AR-C 126532XX, AZD 6140, (1S,2S,3R,5S)-3-(7-((1R,2S)-2-(3,4-difluorophenyl)cyclopropylamino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol, (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPYL]AMINO]-5-(PROPYLTHIO)-3H-1,2,3-TRIAZOLO[4,5-D]PYRIMIDIN-3-YL]-5-(2-HYDROXYETHOXY)-1,2-CYCLOPENTANEDIOL, UNII-GLH0314RVC, Possia, Brilinta (TN), (1S,2S,3R,5S)-3-(7-((1R,2S)-2-(3,4-Difluorophenyl)cyclopropylamino)-5-(propylthio)-3H-(1,2,3)triazolo(4,5-d)pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol, Ticagrelor (USAN/INN), SureCN1979652, GLH0314RVC, cc-291, CHEMBL398435, AR-C126532XX

Molecular Formula: C23H28F2N6O4SMolecular Weight: 522.568026 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 12

InChIKey: OEKWJQXRCDYSHL-FNOIDJSQSA-N

• Tirofiban Hydrochloride
IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid hydrate hydrochloride | CAS Registry Number: 150915-40-5
Synonyms: Aggrastat, Aggrastat (TN), TIROFIBAN HYDROCHLORIDE, Tirofiban hydrochloride hydrate, Tirofiban hydrochloride (USAN), Tirofiban hydrochloride [USAN], Tirofiban hydrochloride monohydrate, D01029, L-Tyrosine, N-(butylsulfonyl)-O-(4-(4-piperidinyl)butyl)-, monohydrochloride, monohydrate, N-(Butylsulfonyl)-4-(4-(4-piperidyl)butoxy)-L-phenylalanine monohydrochloride monohydrate

Molecular Formula: C22H39ClN2O6SMolecular Weight: 495.072860 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: HWAAPJPFZPHHBC-FGJQBABTSA-N

• Tolcapone
IUPAC Name: (3,4-dihydroxy-5-nitrophenyl)-(4-methylphenyl)methanone | CAS Registry Number: 134308-13-7
Synonyms: Tasmar, Tasmar (TN), Tolcapone [USAN:INN], Roche brand of tolcapone, CCRIS 7904, Tolcapone (JAN/USAN/INN), Ro 40-7592, C14H11NO5, Ro-40-7592, CPD-7664, 3,4-Dihydroxy-4'-methyl-5-nitrobenzophenone, DB00323, 3,4-dihydroxy-5'-methyl-5-nitrobenzophenone, NCGC00181767-01, LS-91226, (3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone, C07949, D00786, Methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-, C066340

Molecular Formula: C14H11NO5Molecular Weight: 273.240840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: MIQPIUSUKVNLNT-UHFFFAOYSA-N

• TOOSENDANIN, 90% BY HPLC
Synonyms: Chuanliansu, Toosendanin, BRN 1674886, CID115060, LS-185054, 24-Norchola-20,22-diene-4-carboxaldehyde, 3,12-bis(acetyloxy)-14,15:21,23-diepoxy-1,7,19-trihydroxy-4,8-dimethyl-11-oxo-, cyclic 4,19-hemiacetal, (1-alpha,3-alpha,4-beta(R), 5-alpha,7-alpha,12-alpha,13-alpha,14-beta,15-beta,17-alpha)-, 66052-48-0, 79304-40-8

Molecular Formula: C30H38O11Molecular Weight: 574.616120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: NAHTXVIXCMUDLF-SLWGVJJJSA-N

• Topotecan Hydrochloride
Synonyms: Hycamtin, Topotecan Hcl, topotecan, Hycamptamine, Evotropin, Hycamtin (TN), TOPOTECAN HYDROCHLORIDE, Nogitecan hydrochloride, Hycamptamine hydrochloride, Topotecan monohydrochloride, Ambap3996, Topotecan hydrochloride [USAN], MLS001401447, C23H23N3O5.HCl, SPECTRUM1505820, Nogitecan hydrochloride (JAN), Topotecan hydrochloride (USAN), DRG-0288, SK&F S-104864-A, NSC-609699

Molecular Formula: C23H24ClN3O5Molecular Weight: 457.906760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: DGHHQBMTXTWTJV-BQAIUKQQSA-N

• Torin 1
IUPAC Name: 1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one | CAS Registry Number: 1222998-36-8
Synonyms: 1-[4-[4-(1-Oxopropyl)-1-piperazinyl]-3-(trifluoromethyl)phenyl]-9-(3-quinolinyl)benzo[h]-1,6-naphthyridin-2(1H)-one, Torin1, Torin-1, SureCN7919574, cc-274, MLS003230943, CHEMBL1256459, CHEBI:805446, MolPort-020-237-578, HMS3265O03, HMS3265O04, HMS3265P03, HMS3265P04, CS-0237, RL01009, NCGC00263215-01, NCGC00263215-02, HY-13003, KB-81187, SMR001913508

Molecular Formula: C35H28F3N5O2Molecular Weight: 607.624330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: AKCRNFFTGXBONI-UHFFFAOYSA-N

• Trabectedin
Synonyms: Trabectedin (USAN/INN), D06199

Molecular Formula: C39H43N3O11SMolecular Weight: 761.837220 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 14

InChIKey: PKVRCIRHQMSYJX-FRLHEMLTSA-N


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