API and parent drug

Calcium Pantothenate

CAS 137-08-6 · C18H32CaN2O10 · 7 related records

01API identity and structure

2D structurePubChem CID 443753
2D structure: Calcium Pantothenate, CAS 137-08-6
Structure of Calcium Pantothenate (CAS 137-08-6). LazyChem record. Source identity: PubChem CID 443753. Confirm the identifiers before analytical use.Download structure image
API / medicine nameCalcium Pantothenate
CAS RN137-08-6
PubChem CID443753
Molecular formulaC18H32CaN2O10
Molecular weight476.5 g/mol
IUPAC namecalcium bis(3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate)
Defined stereocentres2
Unassigned stereocentres0
SMILESCC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Ca+2]
InChINot listed
InChIKeyFAPWYRCQGJNNSJ-UBKPKTQASA-L

02Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres22D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

3 records

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.

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.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 137-08-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources