Orbofiban

CAS Registry Number®

163250-90-6

CAS Name

Orbofiban

Molecular Formula

C17H23N5O4

Molecular Mass

361.40

Cite this Page

Orbofiban.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=163250-90-6 (retrieved 2024-11-22) (CAS RN: 163250-90-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H23N5O4/c1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25)/t13-/m0/s1

InChIKey

InChIKey=VJDOPFARMOLELX-ZDUSSCGKSA-N

SMILES

O=C1N(CC[C@@H]1NC(NCCC(OCC)=O)=O)C2=CC=C(C(=N)N)C=C2

Canonical SMILES

O=C(OCC)CCNC(=O)NC1C(=O)N(C2=CC=C(C=C2)C(=N)N)CC1

Other Names for this Substance

  • β-Alanine, N-[[[(3S)-1-[4-(aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-, ethyl ester
  • β-Alanine, N-[[[1-[4-(aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-, ethyl ester, (S)-
  • Orbofiban

CAS INSIGHTSTM
Targeted protein degrader structure, illustration