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Substance Name: ALB-109564 dihydrochloride
RN: 1300114-12-8
UNII: G2Z7R4P95M
InChIKey: MTABGSVEFKMZFG-USKOTZBXSA-N

Note

  • A tubulin inhibitor and antineoplastic agent.

Molecular Formula

  • C47-H60-N4-O9-S.2Cl-H

Molecular Weight

  • 929.9978
 
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Names and Synonyms

Name of Substance

  • ALB-109564 dihydrochloride

Synonyms

  • (+)-Alb-109564 dihydrochloride
  • ALB-109564 dihydrochloride
  • Alb-109564(a)
  • UNII-G2Z7R4P95M
  • Vincaleukoblastine, 12'-(methylthio)-, hydrochloride (1:2)

Registry Numbers

CAS Registry Number

  • 1300114-12-8

FDA UNII

  • G2Z7R4P95M

System Generated Number

  • 1300114128

Structure Descriptors

InChI

1S/C47H60N4O9S.2ClH/c1-9-43(55)23-28-24-46(41(53)58-6,37-30(14-18-50(25-28)26-43)31-20-29(61-8)12-13-34(31)48-37)33-21-32-35(22-36(33)57-5)49(4)39-45(32)16-19-51-17-11-15-44(10-2,38(45)51)40(60-27(3)52)47(39,56)42(54)59-7;;/h11-13,15,20-22,28,38-40,48,55-56H,9-10,14,16-19,23-26H2,1-8H3;2*1H/t28-,38-,39+,40+,43-,44+,45+,46-,47-;;/m0../s1

InChIKey

MTABGSVEFKMZFG-USKOTZBXSA-N

Smiles

CC[C@@]1(C[C@H]2C[C@@](c3c(c4cc(ccc4[nH]3)SC)CC[N@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O.Cl.Cl