Xemilofiban

CAS Registry Number®

149820-74-6
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CAS Name

Xemilofiban

Molecular Formula

C18H22N4O4

Molecular Mass

358.39

Cite this Page

Xemilofiban.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=149820-74-6 (retrieved 2024-05-21) (CAS RN: 149820-74-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H22N4O4/c1-3-13(11-17(25)26-4-2)21-15(23)9-10-16(24)22-14-7-5-12(6-8-14)18(19)20/h1,5-8,13H,4,9-11H2,2H3,(H3,19,20)(H,21,23)(H,22,24)/t13-/m1/s1

InChIKey

InChIKey=ZHCINJQZDFCSEL-CYBMUJFWSA-N

SMILES

[C@H](NC(CCC(NC1=CC=C(C(=N)N)C=C1)=O)=O)(CC(OCC)=O)C#C

Canonical SMILES

O=C(OCC)CC(C#C)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

Other Names for this Substance

  • 4-Pentynoic acid, 3-[[4-[[4-(aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-, ethyl ester, (3S)-
  • 4-Pentynoic acid, 3-[[4-[[4-(aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-, ethyl ester, (S)-
  • Xemilofiban
  • SC 54684

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