API and parent drug

Gentamicin

CAS 1403-66-3 · C21H43N5O7 · 5 related records

01API identity and structure

2D structurePubChem CID 3467
2D structure: Gentamicin, CAS 1403-66-3
Structure of Gentamicin (CAS 1403-66-3). LazyChem record. Source identity: PubChem CID 3467. Confirm the identifiers before analytical use.Download structure image
API / medicine nameGentamicin
CAS RN1403-66-3
PubChem CID3467
Molecular formulaC21H43N5O7
Molecular weight477.6 g/mol
IUPAC name2-[4,6-diamino-3-[3-amino-6-[1-(methylamino)ethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
Defined stereocentres0
Unassigned stereocentres13
SMILESCC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC
InChINot listed
InChIKeyCEAZRRDELHUEMR-UHFFFAOYSA-N

02Stereochemistry

The published structure contains 0 defined and 13 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres132D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 8,192Before symmetry reduction

Published same-connectivity configurations

2 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 1403-66-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources