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Substance Name: Afeletecan hydrochloride
RN: 215604-74-3
UNII: DTJ7VPW43J
InChIKey: XQWYWSHYKUJQDC-NZGUGFNHSA-N

Note

  • BAY-383441 is the (20S,HCl)-isomer.

Molecular Formula

  • C45-H49-N7-O11-S.Cl-H

Molecular Weight

  • 932.447
 
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Names and Synonyms

Name of Substance

  • Afeletecan hydrochloride

Synonyms

  • Afeletecan hydrochloride
  • Afeletecan hydrochloride [WHO-DD]
  • BAY 38-3441
  • BAY 56-3722
  • BAY-563722
  • BAY56-3722
  • L-Valine, N-(((4-((6-deoxy-3-O-methyl-beta-L-galactopyranosyl)oxy)phenyl)amino)thioxomethyl)-L-histidyl-, (4S)-4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-4-yl ester, hydrochloride (1:1)
  • L-Valine, N-(((4-((6-deoxy-3-O-methyl-beta-L-galactopyranosyl)oxy)phenyl)amino)thioxomethyl)-L-histidyl-, (4S)-4-ethyl-3,4,12,14-tetrahydro-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-4-yl ester, monohydrochloride
  • UNII-DTJ7VPW43J

Registry Numbers

CAS Registry Number

  • 215604-74-3

FDA UNII

  • DTJ7VPW43J

System Generated Number

  • 0215604743

Structure Descriptors

InChI

1S/C45H49N7O11S.ClH/c1-6-45(30-17-33-35-25(15-24-9-7-8-10-31(24)49-35)19-52(33)40(56)29(30)20-60-43(45)58)63-41(57)34(22(2)3)51-39(55)32(16-27-18-46-21-47-27)50-44(64)48-26-11-13-28(14-12-26)62-42-37(54)38(59-5)36(53)23(4)61-42;/h7-15,17-18,21-23,32,34,36-38,42,53-54H,6,16,19-20H2,1-5H3,(H,46,47)(H,51,55)(H2,48,50,64);1H/t23-,32-,34-,36+,37-,38+,42+,45-;/m0./s1

InChIKey

XQWYWSHYKUJQDC-NZGUGFNHSA-N

Smiles

Cl.CC[C@@]1(OC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=S)Nc3ccc(O[C@H]4O[C@@H](C)[C@@H](O)[C@@H](OC)[C@@H]4O)cc3)C(C)C)C(=O)OCC5=C1C=C6N(Cc7cc8ccccc8nc67)C5=O