pivagabine (Q7199622)

4-Pivalamidobutanoic acid (English)

14 October 2016

chemical formula

C₉H₁₇NO₃

1 reference

4-Pivalamidobutanoic acid (English)

14 October 2016

canonical SMILES

CC(C)(C)C(=O)NCCCC(=O)O

1 reference

4-Pivalamidobutanoic acid (English)

InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)

14 October 2016

Identifiers

InChI

1 reference

4-Pivalamidobutanoic acid (English)

14 October 2016

2 references

4-Pivalamidobutanoic acid (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

69542-93-4

2 references

Global Substance Registration System

pivagabine (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=69542-93-4

8 April 2021

1 reference

Pivagabine (English)

14 October 2016

2 references

4-Pivalamidobutanoic acid (English)

14 October 2016

ChEBI ID

134834

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)

1 reference

PIVAGABINE (English)

14 October 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

pivagabine (English)

ECHA Substance Infocard ID

14 October 2016

100.067.287

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.067.287

27 December 2018

4-[(2,2-dimethylpropionyl)amino]butyric acid (English)

quotation

CAS no.: 69542-93-4 (English)

0 references

1 reference

Human Metabolome Database ID

HMDB0246575

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

pivagabine (English)

14 October 2016