API and parent drug

Cimetidine

CAS 51481-61-9 · C10H16N6S · 12 related records

01API identity and structure

2D structurePubChem CID 2756
2D structure: Cimetidine, CAS 51481-61-9
Structure of Cimetidine (CAS 51481-61-9). LazyChem record. Source identity: PubChem CID 2756. Confirm the identifiers before analytical use.Download structure image
API / medicine nameCimetidine
CAS RN51481-61-9
PubChem CID2756
Molecular formulaC10H16N6S
Molecular weight252.34 g/mol
IUPAC name1-cyano-2-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine
Defined stereocentres0
Unassigned stereocentres0
SMILESCC1=C(N=CN1)CSCCNC(=NC)NC#N
InChINot listed
InChIKeyAQIXAKUUQRKLND-UHFFFAOYSA-N

02Structural 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.

03India 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 51481-61-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Sources