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Substance Name: Mertansine
RN: 139504-50-0
UNII: DDZ29HGH0E
InChIKey: ANZJBCHSOXCCRQ-FKUXLPTCSA-N

Molecular Formula

  • C35-H48-Cl-N3-O10-S

Molecular Weight

  • 738.2942
 
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Names and Synonyms

Results Name

  • Mertansine

Name of Substance

  • Mertansine
  • N2'-deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine

Synonyms

  • DM 1
  • DM 1 [Maytansinoid]
  • DM1
  • DM1 [Maytansinoid]
  • Maytansinoid DM 1
  • UNII-DDZ29HGH0E

Systematic Names

  • Maytansine, N2'-deacetyl-N2'-(3-mercapto-1-oxopropyl)-
  • N2'-Deacetyl-N2'-(3-mercapto-1-oxopropyl)-maytansine, L-

Registry Numbers

CAS Registry Number

  • 139504-50-0

FDA UNII

  • DDZ29HGH0E

Other Registry Number

  • 1194029-14-5

System Generated Number

  • 0139504500

Structure Descriptors

InChI

1S/C35H48ClN3O10S/c1-19-10-9-11-26(46-8)35(44)18-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)28(40)12-13-50)17-29(41)39(6)23-15-22(14-19)16-24(45-7)30(23)36/h9-11,15-16,20-21,25-27,31,44,50H,12-14,17-18H2,1-8H3,(H,37,43)/b11-9+,19-10+/t20-,21+,25+,26-,27+,31+,34+,35+/m1/s1

InChIKey

ANZJBCHSOXCCRQ-FKUXLPTCSA-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)CCS)[C@]3(C)O[C@H]3[C@H](C)[C@@H]4C[C@@]1(O)NC(=O)O4