Mitomycin B

CAS Registry Number®

4055-40-7
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CAS Name

Mitomycin B

Molecular Formula

C16H19N3O6

Molecular Mass

349.34

Cite this Page

Mitomycin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4055-40-7 (retrieved 2024-04-29) (CAS RN: 4055-40-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)24-3)7(5-25-15(17)22)16(23)14-8(18(14)2)4-19(10)16/h7-8,14,23H,4-5H2,1-3H3,(H2,17,22)/t7-,8-,14-,16+,18?/m0/s1

InChIKey

InChIKey=UZUUQCBCWDBYCG-DQRAMIIBSA-N

SMILES

O[C@]12N(C3=C([C@@H]1COC(N)=O)C(=O)C(OC)=C(C)C3=O)C[C@]4([C@@]2(N4C)[H])[H]

Canonical SMILES

O=C(OCC1C=2C(=O)C(OC)=C(C(=O)C2N3CC4N(C)C4C31O)C)N

Other Names for this Substance

  • Azirino[2′,3′:3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-, (1aS,8R,8aR,8bS)-
  • Azirino[2′,3′:3,4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-8-(hydroxymethyl)-6-methoxy-1,5-dimethyl-, 8-carbamate
  • Mitomycin B
  • Azirino[2′,3′:3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethyl-, [1aS-(1aα,8α,8aα,8bα)]-
  • (1aS,8R,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-hydroxy-6-methoxy-1,5-dimethylazirino[2′,3′:3,4]pyrrolo[1,2-a]indole-4,7-dione

Deleted or Replaced CAS Registry Numbers

16908-77-3

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