API and parent drug

Dinoprost Tromethamine

CAS 38562-01-5 · C24H45NO8 · 0 related records

01API identity and structure

2D structurePubChem CID 5282415
2D structure: Dinoprost Tromethamine, CAS 38562-01-5
Structure of Dinoprost Tromethamine (CAS 38562-01-5). LazyChem record. Source identity: PubChem CID 5282415. Confirm the identifiers before analytical use.Download structure image
API / medicine nameDinoprost Tromethamine
CAS RN38562-01-5
PubChem CID5282415
Molecular formulaC24H45NO8
Molecular weight475.6 g/mol
IUPAC name2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
Defined stereocentres5
Unassigned stereocentres0
SMILESCCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O.C(C(CO)(CO)N)O
InChINot listed
InChIKeyIYGXEHDCSOYNKY-RZHHZEQLSA-N

02Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres52D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 38562-01-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources