API and parent drug

Ripasudil

CAS 223645-67-8 · C15H18FN3O2S · 4 related records

01API identity and structure

2D structurePubChem CID 9863672
2D structure: Ripasudil, CAS 223645-67-8
Structure of Ripasudil (CAS 223645-67-8). LazyChem record. Source identity: PubChem CID 9863672. Confirm the identifiers before analytical use.Download structure image
API / medicine nameRipasudil
CAS RN223645-67-8
PubChem CID9863672
Molecular formulaC15H18FN3O2S
Molecular weight323.4 g/mol
IUPAC name4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline
Defined stereocentres1
Unassigned stereocentres0
SMILESC[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F
InChINot listed
InChIKeyQSKQVZWVLOIIEV-NSHDSACASA-N

02Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 223645-67-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources