Chemical identity

(2R,4R)-1-((S)-5-guanidino-2-(3-methylquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid

CAS 951130-92-0 · C23H32N6O5S

01Identity

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

Lazychem IDLC-00185
PubChem CID10962209
Name(2R,4R)-1-((S)-5-guanidino-2-(3-methylquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid
CAS RN951130-92-0
Molecular formulaC23H32N6O5S
Molecular weight504.6 g/mol
IUPAC name(2R,4R)-1-((S)-5-guanidino-2-(3-methylquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid
InChIKeyYVJTZYSQJWCWQO-FHLIZLRMSA-N

02Structure identifiers

2D structurePubChem CID 10962209
Two-dimensional chemical structure of (2R,4R)-1-((S)-5-guanidino-2-(3-methylquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid, CAS 951130-92-0
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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2N=CC(=C3)C
InChINot listed
Formula from structureC23H32N6O5S
Molecular weight from structure504.6 g/mol

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 951130-92-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 951130-92-0 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

Argatroban

View API and impurity family

Other names

  • Argatroban M1 metabolite
  • 951130-92-0
  • 1,2,3,4-Tetradehydro Argatroban
  • 7RD48GA3UA
  • (2R,4R)-4-Methyl-1-(((3-methylquinolin-8-yl)sulfonyl)-l-arginyl)piperidine-2-carboxylic acid
  • (2R,4R)-1-((S)-5-Guanidino-2-(3-methylquinoline-8-sulfonamido)pentanoyl)-4-methylpiperidine-2-carboxylic acid
  • (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
  • (2R,4R)-1-(N5-(Diaminomethylene)-N2-((3-methyl-8-quinolinyl)sulfonyl)-L-ornithyl)-4-methyl-2-piperidinecarboxylic acid
  • 2-Piperidinecarboxylic acid, 1-((2S)-5-((aminoiminomethyl)amino)-2-(((3-methyl-8-quinolinyl)sulfonyl)amino)-1-oxopentyl)-4-methyl-, (2R,4R)-
  • (2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid
  • Argatroban Impurity C
  • UNII-7RD48GA3UA

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