U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H15NO2
Molecular Weight 193.2423
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(BUTYLAMINO)BENZOIC ACID

SMILES

CCCCNC1=CC=C(C=C1)C(O)=O

InChI

InChIKey=YCCRFDDXAVMSLM-UHFFFAOYSA-N
InChI=1S/C11H15NO2/c1-2-3-8-12-10-6-4-9(5-7-10)11(13)14/h4-7,12H,2-3,8H2,1H3,(H,13,14)

HIDE SMILES / InChI
Molecular Formula C11H15NO2
Molecular Weight 193.2423
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:43:20 UTC 2023
Edited
by admin
on Sat Dec 16 09:43:20 UTC 2023
Record UNII
KGL80FSD2F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(BUTYLAMINO)BENZOIC ACID
Systematic Name English
NSC-44300
Code English
TETRACAINE RELATED COMPOUND B [USP IMPURITY]
Common Name English
TETRACAINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
BENZOIC ACID, 4-(BUTYLAMINO)-
Systematic Name English
TETRACAINE RELATED COMPOUND B [USP-RS]
Common Name English
TETRACAINE HYDROCHLORIDE RELATED COMPOUND B [USP IMPURITY]
Common Name English
P-BUTYLAMINOBENZOIC ACID
Systematic Name English
Code System Code Type Description
CHEBI
521021
Created by admin on Sat Dec 16 09:43:20 UTC 2023 , Edited by admin on Sat Dec 16 09:43:20 UTC 2023
PRIMARY
PUBCHEM
95946
Created by admin on Sat Dec 16 09:43:20 UTC 2023 , Edited by admin on Sat Dec 16 09:43:20 UTC 2023
PRIMARY
RS_ITEM_NUM
1650017
Created by admin on Sat Dec 16 09:43:20 UTC 2023 , Edited by admin on Sat Dec 16 09:43:20 UTC 2023
PRIMARY
FDA UNII
KGL80FSD2F
Created by admin on Sat Dec 16 09:43:20 UTC 2023 , Edited by admin on Sat Dec 16 09:43:20 UTC 2023
PRIMARY
NSC
44300
Created by admin on Sat Dec 16 09:43:20 UTC 2023 , Edited by admin on Sat Dec 16 09:43:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID60197127
Created by admin on Sat Dec 16 09:43:20 UTC 2023 , Edited by admin on Sat Dec 16 09:43:20 UTC 2023
PRIMARY
CAS
4740-24-3
Created by admin on Sat Dec 16 09:43:20 UTC 2023 , Edited by admin on Sat Dec 16 09:43:20 UTC 2023
PRIMARY
Related Record Type Details
Structure of BENZONATATE
PARENT -> METABOLITE
Related Record Type Details
Structure of TETRACAINE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of TETRACAINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966