orbofiban acetate (Q27282487)

Orbofiban acetate (English)

14 October 2016

chemical formula

C₁₉H₂₇N₅O₆

1 reference

Orbofiban acetate (English)

14 October 2016

canonical SMILES

CCOC(=O)CCNC(=O)NC1CCN(C1=O)C2=CC=C(C=C2)C(=N)N.CC(=O)O

1 reference

Orbofiban acetate (English)

14 October 2016

isomeric SMILES

CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)C2=CC=C(C=C2)C(=N)N.CC(=O)O

1 reference

Orbofiban acetate (English)

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

14 October 2016

Identifiers

InChI

1 reference

Orbofiban acetate (English)

PKHRWVBUJHJCLV-ZOWNYOTGSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Orbofiban acetate (English)

14 October 2016

2 references

UNII

KXH3TSO8AS

orbofiban acetate anhydrous (English)

PKHRWVBUJHJCLV-ZOWNYOTGSA-N

14 October 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=163250-91-7

1 reference

Ethyl N-{[(3S)-1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]carbamoyl}-beta-alaninate acetate (1:1) (English)

14 October 2016

1 reference

Orbofiban acetate (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

ORBOFIBAN ACETATE (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

KXH3TSO8AS

orbofiban acetate anhydrous (English)