API and parent drug

Ractopamine

CAS 97825-25-7 · C18H23NO3 · 1 related records

01API identity and structure

2D structurePubChem CID 56052
2D structure: Ractopamine, CAS 97825-25-7
Structure of Ractopamine (CAS 97825-25-7). LazyChem record. Source identity: PubChem CID 56052. Confirm the identifiers before analytical use.Download structure image
API / medicine nameRactopamine
CAS RN97825-25-7
PubChem CID56052
Molecular formulaC18H23NO3
Molecular weight301.4 g/mol
IUPAC name4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
Defined stereocentres0
Unassigned stereocentres2
SMILESCC(CCC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)O
InChINot listed
InChIKeyYJQZYXCXBBCEAQ-UHFFFAOYSA-N

02Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres22D structure
Assignment statusUnassignedExact 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 97825-25-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources