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1 to 50 of 132 Products/Chemicals (Click for related suppliers)  Page: [1] 2 3 >> Next 50 Results
• Adenine Phosphate
IUPAC Name: phosphoric acid;7H-purin-6-amine | CAS Registry Number: 70700-30-0
Synonyms: Adenine phosphate, 52175-10-7, 6-Aminopurine phosphate, 7H-Purin-6-amine phosphate, 1H-Purin-6-amine, phosphate, EINECS 257-702-7, PubChem9684, SureCN283728, SureCN283729, AC1L550T, MolPort-003-984-187, MolPort-006-108-180, phosphoric acid; 7H-purin-6-amine, 6-amino-1H-purine; phosphoric acid, AKOS015895413, AKOS015961504, AKOS016008799, AC-5490, AM83910, RP17554

Molecular Formula: C5H8N5O4PMolecular Weight: 233.121882 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: CCHNOBQMQBSRHQ-UHFFFAOYSA-N

• Amifostine
IUPAC Name: 2-(3-aminopropylamino)ethylsulfanylphosphonic acid trihydrate | CAS Registry Number: 112901-68-5
Synonyms: amifostine, Ethyol, Amifostine hydrate, Anifostine trihydrate, Amifostine (USP), Amifostine trihydrate, ETHYOL (TN), Amifostine [USAN:INN:BAN], C5H15N2O3PS.3H2O, NSC 296961, LS-172202, D00226, Ethanethiol, 2-((3-aminopropyl)amino)-, dihydrogen phosphate (ester), trihydrate, S-(2-((3-Aminopropyl)amino)ethyl) dihydrogen phosphorothioate, trihydrate

Molecular Formula: C5H21N2O6PSMolecular Weight: 268.268801 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 8

InChIKey: TXQPXJKRNHJWAX-UHFFFAOYSA-N

• Aminoglutethimide
IUPAC Name: 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione | CAS Registry Number: 125-84-8
Synonyms: aminoglutethimide, Cytadren, Orimeten, Elipten, p-Aminoglutethimide, dl-Aminoglutethimide, Cytadren (TN), Prestwick_243, aminoglutethimide (AG), Spectrum_000040, Glutethimide, para-amino, (?)-p-Aminoglutethimide, Prestwick0_000244, Prestwick1_000244, Prestwick2_000244, Prestwick3_000244, Spectrum2_000093, Spectrum3_000296, Spectrum4_000144, Spectrum5_000802

Molecular Formula: C13H16N2O2Molecular Weight: 232.278340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ROBVIMPUHSLWNV-UHFFFAOYSA-N

• Apigenin
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 520-36-5
Synonyms: apigenin, Apigenine, Chamomile, Apigenol, Spigenin, Versulin, 4',5,7-Trihydroxyflavone, Pelargidenon 1449, Prestwick_719, C.I. Natural Yellow 1, nchembio790-comp26, Tocris-1227, 5,7,4'-Trihydroxyflavone, BiomolKI_000078, Prestwick0_000414, Prestwick1_000414, Prestwick2_000414, Prestwick3_000414, Spectrum2_000428, Spectrum3_001882

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: KZNIFHPLKGYRTM-UHFFFAOYSA-N

• Arbutin
IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol | CAS Registry Number: 497-76-7
Synonyms: arbutin, Uvasol, Ursin, Arbutoside, beta-Arbutin, p-Arbutin, Spectrum_000786, SpecPlus_000314, Prestwick3_001026, Spectrum2_000662, Spectrum3_001233, Spectrum4_001474, Spectrum5_000147, BSPBio_001211, BSPBio_002706, KBioGR_002047, KBioSS_001266, SPECTRUM300539, A4256_SIGMA, DivK1c_006410

Molecular Formula: C12H16O7Molecular Weight: 272.251240 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 7

InChIKey: BJRNKVDFDLYUGJ-RMPHRYRLSA-N

• Ascomycin
Synonyms: ascomycin, Immunomycin, A3835_SIGMA, FK 520, FR 520, NSC 106410, NSC-106410, CID6437370, FR 900520, NCGC00179225-01, LS-22015, LS-64246, L 683590, Ascomycin from Streptomyces hygroscopicus var. ascomyceticus, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-8-ethyl-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S-(3R*(E(1S*,3S*,4S*)),4S*,19S*,26aR*))-, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-(2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl)-14,16-dimethoxy-4,10,12,18-tetram, 11011-38-4, 126340-36-1, 133876-12-7, 137767-75-0

Molecular Formula: C43H69NO12Molecular Weight: 792.007460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: ZDQSOHOQTUFQEM-PKUCKEGBSA-N

• Ascomycin [fk-520]
Synonyms: ascomycin, AIDS093221, AIDS-093221, NSC106410, FR-900520, 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-

Molecular Formula: C43H69NO12Molecular Weight: 792.007460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: ZDQSOHOQTUFQEM-BFFCMSJVSA-N

• Atomoxetine HCL
IUPAC Name: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine hydrochloride | CAS Registry Number: 82248-59-7
Synonyms: Strattera, Atomoxetine hydrochloride, Strattera (TN), TOMOXETINE HYDROCHLORIDE, Ambap5639, C17H21NO.HCl, (R)-Tomoxetine hydrochloride, MLS001401377, MLS002153176, Atomoxetine hydrochloride [USAN], (R)-(-)-Tomoxetine hydrochloride, LY-139602 [(+)-isomer], Atomoxetine hydrochloride (JAN/USAN), tomoxetine hydrochloride, (-)-isomer, CPD000469177, LY139603, SAM001246626, SMR000469177, LS-177676, LY 139603

Molecular Formula: C17H22ClNOMolecular Weight: 291.815680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LUCXVPAZUDVVBT-UNTBIKODSA-N

• Azasetron
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-8-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide | CAS Registry Number: 123040-69-7
Synonyms: Nazasetron, Azasetron [INN], Azasetron (INN), Ambap1302, Azasetron [superceded RN], azasetron, (+-)-isomer, Biomol-NT_000105, C17H20ClN3O3.HCl, C17H20ClN3O3, BPBio1_001397, NCGC00024563-02, LS-172550, LS-172551, TL8000615, D07481, Y 25130, Y-25130, (- )-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-3-quinuclidinyl-2H-1,4-benzoxazine-8-carboxamide, 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride, (+-)-6-Chloro-3,4-dihydro-4-methyl-3-oxo-N-3-quinuclidinyl-2H-1,4-benzoxazine-8-carboxamide

Molecular Formula: C17H20ClN3O3Molecular Weight: 349.812000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WUKZPHOXUVCQOR-UHFFFAOYSA-N

• Azasetron hydrochloride
IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide;hydrochloride | CAS Registry Number: 141922-90-9
Synonyms: azasetron hydrochloride, Serotone, Azasetron, 123040-16-4, Y 25130, C17H20ClN3O3.HCl, Y-25130, 123040-69-7, 2H-1,4-Benzoxazine-8-carboxamide, 3,4-dihydro-N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-4-methyl-3-oxo-, monohydrochloride, 2H-1,4-Benzoxazine-8-carboxamide, N-1-azabicyclo(2.2.2)oct-3-yl-6-chloro-3,4-dihydro-4-methyl-3-oxo-, monohydrochloride, N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide hydrochloride, SMR000466285, Azasetron HCl, Serotone (TN), Nazasetron hydrochloride, AC1L3GCQ, NPFAPI-08, SureCN442156, MLS000758245, MLS001424223

Molecular Formula: C17H21Cl2N3O3Molecular Weight: 386.272940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DBMKBKPJYAHLQP-UHFFFAOYSA-N

• Calciferol
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol | CAS Registry Number: 50-14-6
Synonyms: ergocalciferol, Viosterol, Calciferolum, Crystallina, Mulsiferol, Condocaps, Deltalin, Ercalciol, Ergorone, Fortodyl, Hyperkil, Mykostin, Radiostol, Radsterin, Sterogyl, Vigantol, Davitin, Deratol, Detalup, Diactol

Molecular Formula: C28H44OMolecular Weight: 396.648360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MECHNRXZTMCUDQ-RKHKHRCZSA-N

• Calcitonin
Synonyms: Cibacalcin, Miacalcin, Calcimar, Fortical, Salmon calcitonin, Osseocalcina, Prontocalcin, Bionocalcin, Calcihexal, Calcimonta, Calcitonina, Calcitoran, Cibacalcine, Eptacalcin, Miracalcic, Ostostabil, Porostenina, Rulicalcin, Salmocalcin, Tonocalcin

Molecular Formula: C145H240N44O48S2Molecular Weight: 3431.853100 [g/mol]
H-Bond Donor: 52H-Bond Acceptor: 56

InChIKey: BBBFJLBPOGFECG-UHFFFAOYSA-N

• Calcium Folinate
IUPAC Name: calcium (2S)-2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate | CAS Registry Number: 1492-18-8
Synonyms: Wellcovorin, calcium folinate, Lederfoline, Calcium leucovorin, Uzel, LEUCOVORIN CALCIUM, Folinate-SF Calcium, Wellcovorin (TN), Prestwick_224, Folinic acid calcium salt, Leucovorin calcium salt, Calcium citrovorum factor, Uzel (TN), Leucovorin Calcium [USAN], Calcii folinas [INN-Latin], Leucovorin calcium (USP), Calcium folinate (JP15), Folinic acid-SF, calcium salt, Calcium 5-formyltetrahydrofolate, Folinato calcico [INN-Spanish]

Molecular Formula: C20H21CaN7O7Molecular Weight: 511.501440 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: KVUAALJSMIVURS-ZEDZUCNESA-L

• Camptothecin
Synonyms: camptothecin, Camptothecine, d-Camptothecin, (S)-Camptothecin, (+)-Camptothecin, (+)-Camptothecine, 20(S)-Camptothecine, 20(S)-Camptothecin, Camptothecine (8CI), Prestwick_102, (S)-(+)-Camptothecin, Camptothecine (S,+), Spectrum_000299, Tocris-1100, (S)-()-Camptothecin, SpecPlus_000712, Prestwick0_000200, Prestwick1_000200, Prestwick2_000200, Prestwick3_000200

Molecular Formula: C20H16N2O4Molecular Weight: 348.352040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: VSJKWCGYPAHWDS-FQEVSTJZSA-N

• Carboplatin
IUPAC Name: azane; cyclobutane-1,1-dicarboxylic acid; platinum(2+) | CAS Registry Number: 41575-94-4
Synonyms: carboplatin, Paraplatin, Cbdca, Carboplatine [French], Carboplatinum [Latin], Carboplatino [Spanish], CCRIS 3404, JM 8, CHEBI:31355, HSDB 6957, Carboplatin [USAN:BAN:INN:JAN], EINECS 255-446-0, NSC 201345, NSC 241240, NSC-241240, EU-0100230, cis-Diammine(1,1-cyclobutanedicarboxylato)platinum, cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II), cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II), 1,1-Cyclobutanedicarboxylate diammine platinum(II)

Molecular Formula: C6H14N2O4Pt+2Molecular Weight: 373.264360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: OLESAACUTLOWQZ-UHFFFAOYSA-N

• Ceftiofur
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 80370-57-6
Synonyms: Excenel, Ceftiofur (INN), Ceftiofur hydrochloride, Ceftiofur [USAN], Naxcel [veterinary], Ceftiofurum [Latin], Naxcel [veterinary] (TN), C19H17N5O7S3.HCl, Ceftiofur Hydrochloride [USAN], U 64279A, U 67279A, CID6328657, LS-171899, D07657, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo, monohydrochloride, (6R,7R), (6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime), 2-furoate (ester), (6R,7R)-7-(2-(2-Amino-4-thiazolyl)glyoxylamido)-3-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(Z)-(O-methyloxime), 2-furoate (ester), monohydrochloride, 103980-44-5, 104010-37-9, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(Z)))-

Molecular Formula: C19H17N5O7S3Molecular Weight: 523.562580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 10

InChIKey: ZBHXIWJRIFEVQY-IHMPYVIRSA-N

• Cholesterol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 57-88-5
Synonyms: cholesterol, Cholesterin, Cordulan, Dusoline, Dusoran, Cholesterine, Cholestrin, Cholestrol, Hydrocerin, Provitamin D, Dythol, Kathro, Lanol, Super hartolan, Lidinite, Lidinit, Cholesteryl alcohol, Cholesterol base H, Cholest-5-en-3beta-ol, Tegolan

Molecular Formula: C27H46OMolecular Weight: 386.653540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-N

• Cisplatin
IUPAC Name: azane; platinum(2+); dichloride | CAS Registry Number: 15663-27-1
Synonyms: cisplatin, Transplatin, cis-Platinum, Biocisplatinum, Platidiam, Platinol, trans-DDP, platino, Cisplatine, Platiblastin, Abiplatin, Briplatin, Cisplatyl, Neoplatin, Platosin, cis Platinum, cis-Platin, Peyrone's chloride, DDPt, cis-Platinum(II)

Molecular Formula: Cl2H6N2PtMolecular Weight: 300.045040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LXZZYRPGZAFOLE-UHFFFAOYSA-L

• Citrus Aurantium Extract
IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]phenol | CAS Registry Number: 94-07-5
Synonyms: Synephrine, Oxedrine, p-Synephrine, Sympatol, Sympaethamine, Parasympatol, Analeptin, Sympathol, Synephrin, Synthenate, Simpalon, Simpatol, p-Oxedrine, Sympaethamin, Ethaphene, l-Synephrine, l-Sympatol, Synefrin [Czech], (+)-Synephrine, (-)-Synephrine

Molecular Formula: C9H13NO2Molecular Weight: 167.205020 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: YRCWQPVGYLYSOX-UHFFFAOYSA-N

• Colchicine
IUPAC Name: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide | CAS Registry Number: 64-86-8
Synonyms: colchicine, Colchicina, Colchicin, Colsaloid, Condylon, Colchineos, Colchisol, Colcin, Colchicinum, spindle poison, ColBenemid, 7alphaH-Colchicine, Colstat, Col-Probenecid, Mixture Name, Colchicine [JAN], Proben-C, Colchicin [German], (S)-colchicine, Colchicine (TN)

Molecular Formula: C22H25NO6Molecular Weight: 399.437000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: IAKHMKGGTNLKSZ-INIZCTEOSA-N

• Cyclosporin b
IUPAC Name: (2R,5S,8S,11S,14S,17R,20S,23S,26S,32S)-2-[(E)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30,32-decamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 63775-95-1
Synonyms: Cyclosporin B, Cyclosporin A, 7-L-alanine-, CID6450331

Molecular Formula: C61H109N11O12Molecular Weight: 1188.584660 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: UCOQITKXMNKTKF-BMNGICEZSA-N

• Cyclosporin C
IUPAC Name: (2S,5S,8S,11S,14R,17S,20S,23S,26S,32S)-32-[(1R)-1-hydroxyethyl]-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 59787-61-0
Synonyms: [Thr2]CsA, AIDS108971, AIDS-108971, CID5287817, BMT-THR-SAR-MLE-VAL-MLE-ALA-DAL-MLE-MLE-MVA, Cyclo[[(E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl]-L-threonine-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl]

Molecular Formula: C62H111N11O13Molecular Weight: 1218.610640 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 13

InChIKey: JTOKYIBTLUQVQV-QRVTZXGZSA-N

• Cyclosporin D
IUPAC Name: (5S,8S,11S,14R,17S,20S,23S,26S,32S)-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23,32-tri(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 63775-96-2
Synonyms: Cyclosporin A der., 4-Nitrosohydrochlorothiazide, Cyclosporin A, 7-L-valine-, AIDS081108, AIDS-081108, CID6436250

Molecular Formula: C63H113N11O12Molecular Weight: 1216.637820 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: ZNVBEWJRWHNZMK-APUFIDQKSA-N

• Cyclosporin H
IUPAC Name: (5S,8S,11S,14R,17S,20S,23R,26S,32S)-32-ethyl-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,24,27,30-decamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 83602-39-5
Synonyms: Csh cyclosporin, Cyclosporine H, Cyclosporin A der., Sandoz 37-839, 5-(N-Methyl-D-valine)cyclosporine A, AIDS081105, AIDS-081105, Cyclosporin A, 5-(N-methyl-D-valine)-, C050025, Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-D-valyl-(3R,4R,6E)-6,7-didehydro-3-hydroxy-N,4-dimethyl-L-2-aminooctanoyl-L-2-aminobutanoyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl]

Molecular Formula: C63H113N11O12Molecular Weight: 1216.637820 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 12

InChIKey: BQQHPBPTWWXRMU-SXHXJWHLSA-N

• Cyclosporine A
IUPAC Name: (2S,5S,8S,11S,14R,17S,20S,23S,26S,32S)-32-ethyl-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 59865-13-3
Synonyms: cyclosporin A, cyclosporine, Ciclosporin, Cyclosporin, Sandimmune, Ramihyphin A, Sigmasporin, Consupren, Cyclokat, Mitogard, Neoplanta, Papilock, Pulminiq, Restasis, Sandimmun, Equoral, Gengraf, Vekacia, Neoral, Consupren S

Molecular Formula: C62H111N11O12Molecular Weight: 1202.611240 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: PMATZTZNYRCHOR-CGLBZJNRSA-N

• D(+)-Malic Acid
IUPAC Name: (2R)-2-hydroxybutanedioic acid | CAS Registry Number: 636-61-3
Synonyms: D-malic acid, malic acid, D-malate, Malic acid, D-, L(+)-Malic acid, (R)-malic acid, (R)-malate, D-()-Malic acid, Malic acid, L(+)-, (+)-D-malic acid, D-(+)-malic acid, Malic acid D-(+)-form, nchembio.145-comp29, D-Hydroxybutanedioic acid, 2-HYDROXY-SUCCINIC ACID, 46940U_SUPELCO, butanedioic acid, 2-hydroxy-, MLS000069520, (2R)-2-hydroxybutanedioic acid, 02300_FLUKA

Molecular Formula: C4H6O5Molecular Weight: 134.087440 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: BJEPYKJPYRNKOW-UWTATZPHSA-N

• D(+)-Xylose
IUPAC Name: (2S,3R,4S,5R)-oxane-2,3,4,5-tetrol | CAS Registry Number: 58-86-6
Synonyms: xylose, Wood sugar, Xylo-Pfan, Xylose, pure, D-xylose, Xylomed, alpha-D-Xylose, (+)-Xylose, Alpha-d-xylopyranose, Xylose (VAN), Xylose, D-, Xylose [USAN], XYLOPYRANOSE, d-(+)-Xylose, D-Xylose (9CI), (D)-XYLOSE, Xylose, D- (8CI), 2,3,4,5-Tetrahydroxypentanal, bmse000026, UNII-A1TA934AKO

Molecular Formula: C5H10O5Molecular Weight: 150.129900 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: SRBFZHDQGSBBOR-LECHCGJUSA-N

• D-(+)-Galactose (CAS: 59-23-4)
• D-Lyxose isomerase (CAS: 37318-42-6)
• D-Mannosamine Hydrochloride
IUPAC Name: [2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium | CAS Registry Number: 5505-63-5
Synonyms: D-Mannosamine, 2-Amino-2-deoxy-D-mannose, CPD-3683, ZINC03861073, CID3258796

Molecular Formula: C6H14NO5+Molecular Weight: 180.179060 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 5

InChIKey: MSWZFWKMSRAUBD-UHFFFAOYSA-O

• D-Ribose
IUPAC Name: (3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol | CAS Registry Number: 50-69-1
Synonyms: D-ribose, ribose, D-ribofuranose, alpha-D-ribose, Ribose, D-, alpha-D-ribose-5, D-(-)-Ribose, R1757_ALDRICH, MLS001335979, MLS001335980, R7500_SIGMA, R9629_SIGMA, R9633_SIGMA, W379301_ALDRICH, D-(−)-Ribose, CHEBI:47013, CID5779, EINECS 200-059-4, AI3-52667, BRN 1723081

Molecular Formula: C5H10O5Molecular Weight: 150.129900 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: HMFHBZSHGGEWLO-SOOFDHNKSA-N

• Decitabine
IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one | CAS Registry Number: 2353-33-5
Synonyms: Dezocitidine, Dacogen, 5-Aza-2'-deoxycytidine, AzadC, 5-Azadeoxycytidine, 5-aza-CdR, 5-aza-dC, Dacogen (TN), 2'-Deoxy-5-azacytidine, 5A2dc, 5-aza-2-deoxycytidine, 5-AZAdC, NCGC_5ADOC, Decitabine (USAN/INN), MolMap_000063, MLS001332587, MLS001332588, A3656_SIGMA, 5-Aza-2′-Deoxycytidine, 5-Deoxy-2′-azacytidine

Molecular Formula: C8H12N4O4Molecular Weight: 228.205280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N

• Demecolcine
IUPAC Name: 1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one | CAS Registry Number: 477-30-5
Synonyms: colcemid, Colchamine, Demecolcin, Desmecolcine, Kolchamin, Kolkamin, Omaine, Methylcolchicine, Omain, Substance F, Reichstein's F, (-)-Demecolcine, (-)-Colchamine, Kolchicin [Czech], Santavy's substance F, Deacetylmethylcolchicine, Desacetylmethylcolchicine, N-Desacetylmethylcolchicine, Demecolcinum [INN-Latin], Deacetyl-N-methylcolchicine

Molecular Formula: C21H25NO5Molecular Weight: 371.426900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: NNJPGOLRFBJNIW-UHFFFAOYSA-N

• Diethyl-D-(-)-Tartrate
IUPAC Name: diethyl (2R,3S)-2,3-dihydroxybutanedioate | CAS Registry Number: 13811-71-7
Synonyms: DIETHYL-D-TARTRATE, Diethyl 2,3-dihydroxysuccinate, ZINC01648297, Butanedioic acid, 2,3-dihydroxy-, diethyl ester, 87-91-2, InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H

Molecular Formula: C8H14O6Molecular Weight: 206.193160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: YSAVZVORKRDODB-OLQVQODUSA-N

• Docetaxel
Synonyms: docetaxel, Taxotere, Docetaxol, Docetaxel anhydrous, nchembio853-comp8, Docetaxel, Trihydrate, nchembio.2007.34-comp7, 01885_FLUKA, XRP-6976L, ANX-514, SDP-014, DB01248, NSC-628503, RP-56976, SL-00678, C11231, TXL, (2alpha,5beta,7beta,10beta,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (aR,bS)-b-[[(1,1-dimethylethoxy)carbonyl]amino]-a-hydroxybenzenepropanoate

Molecular Formula: C43H53NO14Molecular Weight: 807.879220 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 14

InChIKey: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

• Duloxetine Hydrochloride
IUPAC Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine | CAS Registry Number: 116539-59-4
Synonyms: duloxetine, Cymbalta, (S)-Duloxetine, Duloxetine HCl, (+-)-Duloxetine, Duloxetine [INN:BAN], duloxetine, (+)-isomer, C18H19NOS, MLS000758267, MLS001423946, DULOXETINE HYDROCHLORIDE, CHEBI:36795, HSDB 7368, LY 248686, PDSP1_000969, PDSP1_001385, PDSP2_000953, PDSP2_001369, DB00476, NCGC00164559-01

Molecular Formula: C18H19NOSMolecular Weight: 297.414560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZEUITGRIYCTCEM-KRWDZBQOSA-N

• Enocitabine
IUPAC Name: N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]docosanamide | CAS Registry Number: 55726-47-1
Synonyms: enocitabine, Sunrabin, sunrabim, behenoyl ara-C, Sunrabin (TN), BHAC, Enocitabine [INN:JAN], Enocitabinum [INN-Latin], N(4)-behenoyl ara-C, Behenoylcytosine arabinoside, BH-AC, Enocitabina [INN-Spanish], Enocitabine (JAN/INN), C31H55N3O6, N(sup 4)-Behenoylcytosine arabinoside, NSC-239336, BRN 0772101, NSC 239336, NCGC00167515-01, LS-63369

Molecular Formula: C31H55N3O6Molecular Weight: 565.784900 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: SAMRUMKYXPVKPA-VFKOLLTISA-N

• Ergosterol
IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 57-87-4
Synonyms: ERGOSTEROL, Provitamin D2, Ergosterin, 47130U_SUPELCO, E6510_SIGMA, MEGxm0_000450, 45480_FLUKA, 5,7,22-Ergostatrien-3beta-ol, ACon0_000429, ACon1_000637, CHEBI:16933, AIDS064232, AIDS-064232, Ergosta-5,7,22E-trien-3beta-ol, NSC62791, CID444679, LMST01030093, ZINC04084618, 3beta-Hydroxy-5,7,22-ergostatriene, NCGC00168889-01

Molecular Formula: C28H44OMolecular Weight: 396.648360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DNVPQKQSNYMLRS-APGDWVJJSA-N

• Esculin
IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one | CAS Registry Number: 531-75-9
Synonyms: aesculin, Esculoside, Enallachrome, Polychrome, Bicolorin, Crataegin, Esculine, Polychrom, Escosyl, Vitamin C2, Spectrum_000361, Esculetin 6-O-glucoside, Spectrum2_000576, Spectrum3_000731, Spectrum4_001923, Spectrum5_000845, Esculetin 6-b-D-glucoside, BSPBio_002282, KBioGR_002266, KBioSS_000841

Molecular Formula: C15H16O9Molecular Weight: 340.282140 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: XHCADAYNFIFUHF-TVKJYDDYSA-N

• Estramustine
IUPAC Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate | CAS Registry Number: 2998-57-4
Synonyms: estramustine, Estramustine (USAN/INN), CHEBI:4868, LEO 275, NSC89201, CID259331, LMST02010038, Estradiol 3-[bis(2-chloroethyl)carbamate], NCGC00164581-01, NCI60_041982, Estradiol, 3-[bis(2-chloroethyl)carbamate], RO 21-8837, C11228, D04066, Estradiol 3-(N,N-bis(2-chloroethyl)carbamate), 17beta-Estradiol 3-(bis(2-chloroethyl)carbamate), 17.beta.-Estradiol 3-[bis(2-chloroethyl)carbamate], (17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate, Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 3-[bis(2-chloroethyl)carbamate], Estra-1,3,5(10)-triene-3,17-diol, 3-[bis(2-chloroethyl)carbamate], (17.beta.)-

Molecular Formula: C23H31Cl2NO3Molecular Weight: 440.403140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FRPJXPJMRWBBIH-RBRWEJTLSA-N

• Flurocitabine
Synonyms: AAFC, Flurocitabine (USAN/INN), CHEBI:552683, CID3034016, NSC-166641, D04233

Molecular Formula: C9H10FN3O4Molecular Weight: 243.191803 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: PAYBYKKERMGTSS-MNCSTQPFSA-N

• Fluvoxamine Maleate
IUPAC Name: (Z)-but-2-enedioic acid; 2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine | CAS Registry Number: 61718-82-9
Synonyms: Luvox, FLUVOXAMINE MALEATE, fluvoxamine, Depromel, Floxyfral, Faverin, Fevarin, Luvox CR, Luvox (TN), Fluvoxamine maleate [USAN], F2802_SIGMA, SME 3110, Fluvoxamine maleate (JAN/USAN), DU23000, SME-3110, MK-264, NSC309469, C15H21F3N2O2.C4H4O4, NSC 309469, NCGC00093897-01

Molecular Formula: C19H25F3N2O6Molecular Weight: 434.406810 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: LFMYNZPAVPMEGP-PIDGMYBPSA-N

• Formononetin
IUPAC Name: 7-hydroxy-3-(4-methoxyphenyl)chromen-4-one | CAS Registry Number: 485-72-3
Synonyms: formononetin, Biochanin B, Formononetol, 7-Hydroxy-4'-methoxyisoflavone, 4'-O-methyldaidzein, Spectrum_000373, SpecPlus_000223, Daidzein 4-methyl ether, Spectrum2_000560, Spectrum3_000660, Spectrum4_001429, Spectrum5_000258, NCIOpen2_005983, Oprea1_139748, Oprea1_815287, BSPBio_002299, KBioGR_001878, KBioSS_000853, SPECTRUM102007, MLS000697593

Molecular Formula: C16H12O4Molecular Weight: 268.264080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HKQYGTCOTHHOMP-UHFFFAOYSA-N

• Fotemustine
IUPAC Name: 1-(2-chloroethyl)-3-(1-diethoxyphosphorylethyl)-1-nitrosourea | CAS Registry Number: 92118-27-9
Synonyms: Muphoran, Fotemustina, Fotemustinum, Mustoforan, Fotemustinum [Latin], Servier-10036, Fotemustina [Spanish], Muphoran (TN), Fotemustine [BAN:INN], Fotemustine (INN/BAN), C9H19ClN3O5P, CCRIS 6337, Servier brand of fotemustine, CID104799, DB04106, S 10036, S-10036, LS-106511, Diethyl-1-(3-(2-chloroethyl)-3-nitrosoureido)ethylphosphonate, D07255

Molecular Formula: C9H19ClN3O5PMolecular Weight: 315.691021 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YAKWPXVTIGTRJH-UHFFFAOYSA-N

• Galamustine
IUPAC Name: (3R,4S,5R,6R)-6-[bis(2-chloroethyl)aminomethyl]oxane-2,3,4,5-tetrol | CAS Registry Number: 105618-02-8
Synonyms: Galamustina, Galamustinum, C6-Galactose mustard, Galamustinum [INN-Latin], UNII-P771FDQ1WJ, Galamustina [INN-Spanish], CID65891, 107811-63-2 (hydrochloride), 6-(Bis(2-chloroethyl)amino)-6-deoxy-D-galactopyranose, D-Galactopyranose, 6-(bis(2-chloroethyl)amino)-6-deoxy-

Molecular Formula: C10H19Cl2NO5Molecular Weight: 304.167560 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: COKGUJJIBXWRNV-CYNREMDZSA-N

• Gemcitabine HCL
IUPAC Name: 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one hydrochloride | CAS Registry Number: 122111-03-9
Synonyms: Gemzar, Gemzar (TN), GEMCITABINE HYDROCHLORIDE, Ambap6387, LY188011 hydrochloride, Gemcitabine HCL (Gemzar), C9H11F2N3O4.HCl, Gemcitabine hydrochloride [USAN], Gemcitabine hydrochloride (JAN/USAN), 2',2'-Difluorodeoxycytidine monohydrochloride, CPD000469146, LS-59069, SAM001246550, TL8000589, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride, D01155, Cytidine, 2'-deoxy-2',2'-difluoro-, monohydrochloride, 2'-Deoxy-2',2'-difluorocytidine monohydrochloride (beta-isomer), 103882-84-4, 95058-81-4

Molecular Formula: C9H12ClF2N3O4Molecular Weight: 299.659086 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: OKKDEIYWILRZIA-OSZBKLCCSA-N

• Genistein
IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one | CAS Registry Number: 446-72-0
Synonyms: genistein, Genisteol, Genisterin, Prunetol, Sophoricol, Genestein, Differenol A, Isoflavone, Bonistein, 4',5,7-Trihydroxyisoflavone, 5,7,4'-Trihydroxyisoflavone, Lactoferrin-genistein, nchembio.76-comp6, Spectrum_000320, Tocris-1110, 1x7r, SpecPlus_000305, Spectrum2_000638, Spectrum3_000678, Spectrum4_001543

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: TZBJGXHYKVUXJN-UHFFFAOYSA-N

• Homoharringtonine (HHT)
Synonyms: homoharringtonine, Cephalotaxus alkaloid, Homoharringtonine (8CI), C29H39NO9, AIDS003025, NSC 141633, AIDS-003025, BRN 5687925, HSCI1_000363, NSC141633, LS-52751, Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), Cephalotaxine, 4-methyl-, 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), Cephalotaxine, 4-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester) (9CI), Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), (3(R))-, Cephalotaxine, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate (ester), (3(R))- (9CI)

Molecular Formula: C29H39NO9Molecular Weight: 545.621260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HYFHYPWGAURHIV-ZEDNPHJLSA-N

• Hyaluronic Acid, Sodium Salt
IUPAC Name: sodium (2S,3S,4R,5R,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid | CAS Registry Number: 9067-32-7
Synonyms: Legend, Healon, Sodium hyaluronate, Hyalurone sodium, Hyalgan, Hyaluronate Sodium, Equron (Veterinary), Synacid (veterinary), Hyaluronic acid sodium, Legend (TN), Nrd101, Hyaluronic acid, sodium salt, Sodium hyaluronate (JAN), Hyaluronate sodium (USAN), CCRIS 4127, Hyaluronate Sodium [USAN:JAN], SI-4402, SL-1010, LS-75959, D03354

Molecular Formula: C28H44N2NaO23+Molecular Weight: 799.638330 [g/mol]
H-Bond Donor: 14H-Bond Acceptor: 23

InChIKey: YWIVKILSMZOHHF-QJZPQSOGSA-N

• Hydroxyurea
IUPAC Name: hydroxyurea | CAS Registry Number: 127-07-1
Synonyms: hydroxyurea, Hydroxycarbamide, Hydrea, N-Hydroxyurea, Carbamoyl oxime, Litalir, Oxyurea, Droxia, Hydroxycarbamine, Onco-carbide, Biosupressin, Hydurea, Hidrix, Hydura, Hydroxicarbamidum, Urea, hydroxy-, Carbamyl hydroxamate, Carbamohydroxamic acid, Carbamohydroximic acid, Hydroxycarbamid

Molecular Formula: CH4N2O2Molecular Weight: 76.054660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: VSNHCAURESNICA-UHFFFAOYSA-N


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