Maytansinoid DM 1

CAS Registry Number®

139504-50-0

CAS Name

Maytansinoid DM 1

Molecular Formula

C35H48ClN3O10S

Molecular Mass

738.29

Cite this Page

Maytansinoid DM 1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139504-50-0 (retrieved 2024-11-22) (CAS RN: 139504-50-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190-192 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=ANZJBCHSOXCCRQ-FKUXLPTCSA-N

SMILES

C[C@]12[C@@](O1)([C@H](C)[C@@]3(C[C@](O)([C@H](OC)/C=C/C=C(\C)/CC4=CC(N(C)C(=O)C[C@@H]2OC([C@@H](N(C(CCS)=O)C)C)=O)=C(Cl)C(OC)=C4)NC(=O)O3)[H])[H]

Canonical SMILES

O=C1OC2CC(O)(N1)C(OC)C=CC=C(C)CC3=CC(OC)=C(Cl)C(=C3)N(C(=O)CC(OC(=O)C(N(C(=O)CCS)C)C)C4(OC4C2C)C)C

Other Names for this Substance

  • Maytansine, N2′-deacetyl-N2′-(3-mercapto-1-oxopropyl)-
  • N2′-Deacetyl-N2′-(3-mercapto-1-oxopropyl)maytansine
  • Maytansinoid DM 1
  • DM 1
  • Mertansine

View All

Deleted or Replaced CAS Registry Numbers

1194029-14-5, 1613023-94-1, 2159103-61-2, 2230548-32-8, 2768502-42-5