API and parent drug

Romidepsin

CAS 128517-07-7 · C24H36N4O6S2 · 0 related records

01API identity and structure

2D structurePubChem CID 5352062
2D structure: Romidepsin, CAS 128517-07-7
Structure of Romidepsin (CAS 128517-07-7). LazyChem record. Source identity: PubChem CID 5352062. Confirm the identifiers before analytical use.Download structure image
API / medicine nameRomidepsin
CAS RN128517-07-7
PubChem CID5352062
Molecular formulaC24H36N4O6S2
Molecular weight540.7 g/mol
IUPAC name(1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
Defined stereocentres4
Unassigned stereocentres0
SMILESC/C=C\1/C(=O)N[C@H](C(=O)O[C@H]\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C
InChINot listed
InChIKeyOHRURASPPZQGQM-GCCNXGTGSA-N

02Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres42D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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 128517-07-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources