Chemical identity

50-Carboxycyanocobalamin/ Vitamin B12 e-Monocarboxylic Acid

CAS 26264-28-8 · C63H87CoN13O15P

01Identity

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

Lazychem IDLC-04368
PubChem CID6450000
Name50-Carboxycyanocobalamin/ Vitamin B12 e-Monocarboxylic Acid
CAS RN26264-28-8
Molecular formulaC63H87CoN13O15P
Molecular weight1356.35 g/mol
IUPAC nameCoα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-cyanocobamic a,b,c,d,g-pentaamide e-acid
InChIKeyKEKAGBDRPDSHOA-UHFFFAOYSA-L

02Structure identifiers

2D structurePubChem CID 6450000
Two-dimensional chemical structure of 50-Carboxycyanocobalamin/ Vitamin B12 e-Monocarboxylic Acid, CAS 26264-28-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres15
Ring count8
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)O)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
InChINot listed
Formula from structureC63H87CoN13O15P
Molecular weight from structure1356.35 g/mol

03Stereochemistry

The published structure contains 0 defined and 15 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres15Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 32,768Before 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 26264-28-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 26264-28-8 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

Cyanocobalamin

View API and impurity family

Other names

  • 50-Carboxycyanocobalamin
  • Vitamin B12 e-Monocarboxylic Acid

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