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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C11H15NO2.C6H3N3O7
Molecular Weight 615.5885
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTAMBEN PICRATE

SMILES

CCCCOC(=O)C1=CC=C(N)C=C1.CCCCOC(=O)C2=CC=C(N)C=C2.OC3=C(C=C(C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=ATAGSVCDFKGYPE-UHFFFAOYSA-N
InChI=1S/2C11H15NO2.C6H3N3O7/c2*1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2*4-7H,2-3,8,12H2,1H3;1-2,10H

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
BUTAMBEN PICRATE
USAN   VANDF  
USAN  
Official Name English
BUTAMBEN PICRATE [USAN]
Common Name English
BUTAMBEN PICRATE [VANDF]
Common Name English
BENZOIC ACID, 4-AMINO-, BUTYL ESTER, COMPOUND WITH 2,4,6-TRINITROPHENOL (2:1)
Systematic Name English
BUTYL P-AMINOBENZOATE, PICRATE (2:1)
Common Name English
BUTYL AMINOBENZOATE PICRATE [MART.]
Common Name English
ABBOTT-34842
Code English
Butyl aminobenzoate picrate [WHO-DD]
Common Name English
BUTYL AMINOBENZOATE PICRATE
MART.   WHO-DD  
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C245
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
Code System Code Type Description
PUBCHEM
9960605
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY
MESH
C004605
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY
EVMPD
SUB13139MIG
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY
CHEBI
86300
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY
FDA UNII
D4ZFB7ZH5Y
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY
CAS
577-48-0
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY
SMS_ID
100000076888
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY
RXCUI
221067
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY RxNorm
EPA CompTox
DTXSID40206403
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY
DRUG BANK
DBSALT002681
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY
NCI_THESAURUS
C142975
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY
ChEMBL
CHEMBL127516
Created by admin on Fri Dec 15 17:48:32 UTC 2023 , Edited by admin on Fri Dec 15 17:48:32 UTC 2023
PRIMARY
PARENT (SALT/SOLVATE)
Structure of PICRIC ACID
PARENT (SALT/SOLVATE)
Structure of BUTAMBEN
SUBSTANCE RECORD
Structure of BUTAMBEN PICRATE
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