API and parent drug

Physostigmine Salicylate

CAS 57-64-7 · C22H27N3O5 · 0 related records

01API identity and structure

2D structurePubChem CID 657348
2D structure: Physostigmine Salicylate, CAS 57-64-7
Structure of Physostigmine Salicylate (CAS 57-64-7). LazyChem record. Source identity: PubChem CID 657348. Confirm the identifiers before analytical use.Download structure image
API / medicine namePhysostigmine Salicylate
CAS RN57-64-7
PubChem CID657348
Molecular formulaC22H27N3O5
Molecular weight413.5 g/mol
IUPAC name[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate;2-hydroxybenzoic acid
Defined stereocentres2
Unassigned stereocentres0
SMILESC[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C.C1=CC=C(C(=C1)C(=O)O)O
InChINot listed
InChIKeyHZOTZTANVBDFOF-PBCQUBLHSA-N

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

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.

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 57-64-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources