Chemical identity

(S)-tert-butyl 4-((4-fluoroisoquinolin-5-yl)sulfonyl)-3-methyl-1,4-diazepane-1-carboxylate

CAS 1360538-86-8 · C20H26FN3O4S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-27060
PubChem CID66585128
Name(S)-tert-butyl 4-((4-fluoroisoquinolin-5-yl)sulfonyl)-3-methyl-1,4-diazepane-1-carboxylate
CAS RN1360538-86-8
Molecular formulaC20H26FN3O4S
Molecular weight423.50 g/mol
IUPAC name(S)-tert-butyl 4-((4-fluoroisoquinolin-5-yl)sulfonyl)-3-methyl-1,4-diazepane-1-carboxylate
InChIKeyACNOXLYVKWSEAH-AWEZNQCLSA-N

02Structure identifiers

2D structurePubChem CID 66585128
Two-dimensional chemical structure of (S)-tert-butyl 4-((4-fluoroisoquinolin-5-yl)sulfonyl)-3-methyl-1,4-diazepane-1-carboxylate, CAS 1360538-86-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H]1CN(CCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F)C(=O)OC(C)(C)C
InChINot listed
Formula from structureC20H26FN3O4S
Molecular weight from structure423.50 g/mol

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1360538-86-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1360538-86-8 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Ripasudil

View API and impurity family

Other names

  • Ripasudil Impurity 7

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources