Argatroban

CAS Registry Number®

74863-84-6

CAS Name

Argatroban

Molecular Formula

C23H36N6O5S

Molecular Mass

508.63

Cite this Page

Argatroban.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74863-84-6 (retrieved 2024-11-22) (CAS RN: 74863-84-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188-191 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1

InChIKey

InChIKey=KXNPVXPOPUZYGB-IOVMHBDKSA-N

SMILES

S(N[C@H](C(=O)N1[C@@H](C(O)=O)C[C@H](C)CC1)CCCNC(=N)N)(=O)(=O)C2=C3C(=CC=C2)CC(C)CN3

Canonical SMILES

O=C(O)C1N(C(=O)C(NS(=O)(=O)C=2C=CC=C3C2NCC(C)C3)CCCNC(=N)N)CCC(C)C1

Other Names for this Substance

  • 2-Piperidinecarboxylic acid, 1-[(2S)-5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-, (2R,4R)-
  • 2-Piperidinecarboxylic acid, 1-[5-[(aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-, [2R-[1(2S*),2α,4β]]-[partial]-
  • (2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid
  • MD 805
  • MCI 9038

View All

Deleted or Replaced CAS Registry Numbers

78238-51-4, 169554-65-8, 172902-92-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration