Identiteet

Mitomycin EP Impurity C / Mitomycin B

CAS 4055-40-7 · C16H19N3O6

01Identiteet

Lazychem IDLC-20468
CAS RN4055-40-7
PubChem CID19973
Molecular formulaC16H19N3O6
Molecular weight349.34 g/mol
IUPAC name[(1aS,8R,8aR,8bS)-8a-hydroxy-6-methoxy-1,5-dimethyl- 4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2′,3′:3,4] pyrrolo[1,2-a]indol-8-yl]methyl carbamate
InChIKeyUZUUQCBCWDBYCG-DQRAMIIBSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 19973
Two-dimensional chemical structure of Mitomycin EP Impurity C / Mitomycin B, CAS 4055-40-7
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count4
Secondary amines0
Tertiary amines2
SMILESCC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@H]2COC(=O)N)O)N4C)OC
InChIPole loetletud

03Stereochemistry

The published structure contains 4 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Staatus Indias

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nimed ja seosed

API ja lähteravim

Mitomycin

Lisandid ja seotud ühendid

Nimed ja seosed

  • Mitomycin EP Impurity C
  • Mitomycin B
  • 4055-40-7
  • HSDB 3419
  • VT1IGL3D7V
  • [(4S,6S,7R,8R)-7-hydroxy-11-methoxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
  • CHEBI:85416
  • DTXSID001318185
  • 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
  • NSC75987
  • RefChem:159094
  • DTXCID301747973

Lisandid ja seotud ühendid

06Allikad