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Substance Name: Maytansinol butyrate
RN: 66547-09-9
InChIKey: WLKHTIAFMSHJLG-BYXOJEECSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C32-H43-Cl-N2-O9

Molecular Weight

  • 635.1497
 
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Names and Synonyms

Name of Substance

  • Maytansinol butyrate

Synonyms

  • 3-De(2-(acetylmethylamino)propionyloxy)-3-hydroxymaytansine butyrate (ester)
  • Ansamitocin P-3'
  • Antibiotic C 15003P3'
  • C 15003 P-3'
  • Maytansinol butyrate

Systematic Names

  • Maytansine, 3-de(2-(acetylmethylamino)propionyloxy)-3-hydroxy-, butyrate (ester)
  • Maytansine, O(sup 3)-de(2-(acetylmethylamino)-1-oxopropyl)-O(sup 3)-(1-oxobutyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 66547-09-9

System Generated Number

  • 0066547099

Structure Descriptors

InChI

1S/C32H43ClN2O9/c1-8-10-27(37)43-25-16-26(36)35(5)21-14-20(15-22(40-6)28(21)33)13-18(2)11-9-12-24(41-7)32(39)17-23(42-30(38)34-32)19(3)29-31(25,4)44-29/h9,11-12,14-15,19,23-25,29,39H,8,10,13,16-17H2,1-7H3,(H,34,38)/b12-9+,18-11+/t19-,23+,24-,25+,29+,31+,32+/m1/s1

InChIKey

WLKHTIAFMSHJLG-BYXOJEECSA-N

Smiles

CCCC(=O)O[C@H]1CC(=O)N(c2cc(cc(c2Cl)OC)C/C(=C/C=C/[C@H]([C@]3(C[C@@H]([C@H]([C@H]4[C@]1(O4)C)C)OC(=O)N3)O)OC)/C)C

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,