Orbofiban acetate
CAS Registry Number®
163250-91-7
No image available.
CAS Name
Orbofiban acetateMolecular Formula
C17H23N5O4.C2H4O2Cite this Page
Orbofiban acetate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=163250-91-7 (retrieved ) (CAS RN: 163250-91-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C17H23N5O4.C2H4O2/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;1-2(3)4/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25);1H3,(H,3,4)/t13-;/m0./s1
InChIKey
InChIKey=PKHRWVBUJHJCLV-ZOWNYOTGSA-N
SMILES
O=C1N(CC[C@@H]1NC(NCCC(OCC)=O)=O)C2=CC=C(C(=N)N)C=C2.C(C)(O)=O
Canonical SMILES
O=C(O)C.O=C(NCCC(=O)OCC)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, monoacetate
- β-Alanine, N-[[[1-[4-(aminoiminomethyl)phenyl]-2-oxo-3-pyrrolidinyl]amino]carbonyl]-, ethyl ester, (S)-, monoacetate
- SC 57099B
- Orbofiban acetate
