API and parent drug

Lactose

CAS 63-42-3 · C12H22O11 · 2 related records

01API identity and structure

2D structurePubChem CID 440995
2D structure: Lactose, CAS 63-42-3
Structure of Lactose (CAS 63-42-3). LazyChem record. Source identity: PubChem CID 440995. Confirm the identifiers before analytical use.Download structure image
API / medicine nameLactose
CAS RN63-42-3
PubChem CID440995
Molecular formulaC12H22O11
Molecular weight342.30 g/mol
IUPAC name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Defined stereocentres9
Unassigned stereocentres1
SMILESC([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O
InChINot listed
InChIKeyGUBGYTABKSRVRQ-QKKXKWKRSA-N

02Stereochemistry

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

Defined stereocentres92D structure
Unassigned stereocentres12D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 1,024Before symmetry reduction

Published same-connectivity configurations

6 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 63-42-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources