Mitomycin A

CAS Registry Number®

4055-39-4
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CAS Name

Mitomycin A

Molecular Formula

C16H19N3O6

Molecular Mass

349.34

Cite this Page

Mitomycin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4055-39-4 (retrieved 2024-04-28) (CAS RN: 4055-39-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    161 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1

InChIKey

InChIKey=HYFMSAFINFJTFH-NGSRAFSJSA-N

SMILES

O(C)[C@]12N(C3=C([C@H]1COC(N)=O)C(=O)C(OC)=C(C)C3=O)C[C@]4([C@@]2(N4)[H])[H]

Canonical SMILES

O=C(OCC1C=2C(=O)C(OC)=C(C(=O)C2N3CC4NC4C31OC)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-6,8a-dimethoxy-5-methyl-, (1aS,8S,8aR,8bS)-
  • Mitomycin A
  • Azirino[2′,3′:3,4]pyrrolo[1,2-a]indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-6,8a-dimethoxy-5-methyl-, carbamate (ester)
  • Azirino[2′,3′:3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methyl-, [1aS-(1aα,8β,8aα,8bα)]-
  • (1aS,8S,8aR,8bS)-8-[[(Aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methylazirino[2′,3′:3,4]pyrrolo[1,2-a]indole-4,7-dione

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Deleted or Replaced CAS Registry Numbers

11030-55-0, 18462-94-7

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