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Substance Name: Maytansinol isovalerate
RN: 66547-10-2
InChIKey: BGEJBAMYTJMJPW-XVZAFFKESA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C33-H45-Cl-N2-O9

Molecular Weight

  • 649.1765
 
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Names and Synonyms

Name of Substance

  • Maytansinol isovalerate

Synonyms

  • 3-De(2-(acetylmethylamino)propionyloxy)-3-hydroxymaytansine isovalerate (ester)
  • Ansamitocin P-4
  • BRN 5416771
  • C-15003 P-4
  • Maytansinol isovalerate

Systematic Name

  • Maytansine, 3-de(2-(acetylmethylamino)propionyloxy)-3-hydroxy-, isovalerate (ester)

Registry Numbers

CAS Registry Number

  • 66547-10-2

System Generated Number

  • 0066547102

Structure Descriptors

InChI

1S/C33H45ClN2O9/c1-18(2)12-28(38)44-26-16-27(37)36(6)22-14-21(15-23(41-7)29(22)34)13-19(3)10-9-11-25(42-8)33(40)17-24(43-31(39)35-33)20(4)30-32(26,5)45-30/h9-11,14-15,18,20,24-26,30,40H,12-13,16-17H2,1-8H3,(H,35,39)/b11-9-,19-10+/t20-,24+,25-,26-,30-,32+,33+/m1/s1

InChIKey

BGEJBAMYTJMJPW-XVZAFFKESA-N

Smiles

C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C\C=C(\Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@H]([C@]4([C@@H]1O4)C)OC(=O)CC(C)C)C)/C)OC)(NC(=O)O2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 625ug/kg (0.625mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #78-130495,