Chemical identity

Vincristine Sulfate EP Impurity B (Free Base)

CAS 68135-16-0 · C46H56N4O9

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-30829
PubChem CID131883303
NameVincristine Sulfate EP Impurity B (Free Base)
CAS RN68135-16-0
Molecular formulaC46H56N4O9
Molecular weight809.96 g/mol
IUPAC nameMethyl (3aR, 4R, 5S, 5aR, 10bR, 13aR)-4-(acetyloxy)-3a-ethyl-9-[(5R, 7S, 9S)-5-ethyl-9-(methoxycarbonyl)-1, 4, 5, 6, 7, 8, 9, 10-octahydro-2H-3, 7-methanoazacycloundecino[5, 4-b]indol-9-yl]-6-formyl-5-hydroxy-8-methoxy-3a, 4, 5, 5a, 6, 11, 12, 13a-octahydro-1H-indolizino[8, 1-cd]carbazole-5-carboxylate
InChIKeyKLFUUCHXSFIPMH-XAYRGYGFSA-N

02Structure identifiers

2D structurePubChem CID 131883303
Two-dimensional chemical structure of Vincristine Sulfate EP Impurity B (Free Base), CAS 68135-16-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 9 rings, includes aromatic atoms, includes aliphatic carbon, has 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres9
Unassigned stereocentres1
Ring count9
Secondary amines0
Tertiary amines2
N-methyl amine sites0
SMILESCC[C@@H]1C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
InChINot listed
Formula from structureC46H56N4O9
Molecular weight from structure809.96 g/mol

03Stereochemistry

The published structure contains 9 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 1,024Before 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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 68135-16-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 68135-16-0 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Vincristine

View API and impurity family

Other names

  • 4'-Deoxy-22-oxo-vincaleukoblastine
  • 4′-Deoxy Vincristine

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources