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Substance Name: Soravtansine-lysine
RN: 1704738-03-3
UNII: VIX9T64XBU
InChIKey: GJWXRFICKTVOHO-PSJKACIBSA-N

Molecular Formula

  • C48-H72-Cl-N5-O16-S3

Molecular Weight

  • 1106.7668
 
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Names and Synonyms

Name of Substance

  • Soravtansine-lysine

Synonyms

  • DM4-sulfo-spdb-lysine
  • Maytansine, N2'-(4-((4-(((5S)-5-amino-5-carboxypentyl)amino)-4-oxo-3-sulfobutyl)dithio)-4-methyl-1-oxopentyl)-N2'-deacetyl-
  • Soravtansine-lysine
  • UNII-VIX9T64XBU

Registry Numbers

CAS Registry Number

  • 1704738-03-3

FDA UNII

  • VIX9T64XBU

System Generated Number

  • 1704738033

Structure Descriptors

InChI

InChI=1S/C48H72ClN5O16S3/c1-27-14-13-16-36(67-10)48(62)26-34(68-45(61)52-48)28(2)41-47(6,70-41)37(25-39(56)54(8)32-23-30(22-27)24-33(66-9)40(32)49)69-44(60)29(3)53(7)38(55)17-19-46(4,5)72-71-21-18-35(73(63,64)65)42(57)51-20-12-11-15-31(50)43(58)59/h13-14,16,23-24,28-29,31,34-37,41,62H,11-12,15,17-22,25-26,50H2,1-10H3,(H,51,57)(H,52,61)(H,58,59)(H,63,64,65)/b16-13+,27-14+/t28-,29+,31+,34+,35?,36-,37+,41+,47+,48+/m1/s1

InChIKey

GJWXRFICKTVOHO-PSJKACIBSA-N

Smiles

CO[C@@H]1\C=C\C=C(/C)\Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCC(C(=O)NCCCC[C@H](N)C(=O)O)S(=O)(=O)O)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4