Ansamitocin P 3

CAS Registry Number®

66584-72-3
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CAS Name

Ansamitocin P 3

Molecular Formula

C32H43ClN2O9

Molecular Mass

635.14

Cite this Page

Ansamitocin P 3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=66584-72-3 (retrieved 2024-04-27) (CAS RN: 66584-72-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190-192 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1

InChIKey

InChIKey=OPQNCARIZFLNLF-JBHFWYGFSA-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(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(C)C)C4(OC4C2C)C)C

Other Names for this Substance

  • Maytansine, 2′-de(acetylmethylamino)-2′-methyl-
  • 4,24-Dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosane, maytansine deriv.
  • 2′-De(acetylmethylamino)-2′-methylmaytansine
  • Maytansinol isobutyrate
  • Ansamitocin P 3

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Deleted or Replaced CAS Registry Numbers

83541-34-8, 2768502-44-7

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