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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H21NO.C7H7NO4S
Molecular Weight 456.555
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIPHENHYDRAMINE 4-SULFAMOYLBENZOATE

SMILES

NS(=O)(=O)C1=CC=C(C=C1)C(O)=O.CN(C)CCOC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=LTZVZSLVXMIDNA-UHFFFAOYSA-N
InChI=1S/C17H21NO.C7H7NO4S/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;8-13(11,12)6-3-1-5(2-4-6)7(9)10/h3-12,17H,13-14H2,1-2H3;1-4H,(H,9,10)(H2,8,11,12)

HIDE SMILES / InChI

Molecular Formula C17H21NO
Molecular Weight 255.3547
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H7NO4S
Molecular Weight 201.2
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:37 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:37 GMT 2023
Record UNII
E0RKE8A64V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIPHENHYDRAMINE 4-SULFAMOYLBENZOATE
Common Name English
2-(BENZHYDRYLOXY)-N,N-DIMETHYLETHAN-1-AMINE 4-SULFAMOYLBENZOATE
Systematic Name English
DIPHENHYDRAMINE P-SULFONAMIDE BENZOATE
Common Name English
Diphenhydramine p-sulfonamide benzoate [WHO-DD]
Common Name English
ETHANAMINE, 2-(DIPHENYLMETHOXY)-N,N-DIMETHYL-, 4-(AMINOSULFONYL)BENZOATE
Systematic Name English
NEO-BENADOL
Brand Name English
BENADOL
Brand Name English
BENZOIC ACID, 4-(AMINOSULFONYL)-, COMPD. WITH 2-(DIPHENYLMETHOXY)-N,N-DIMETHYLETHANAMINE (1:1)
Systematic Name English
Code System Code Type Description
CAS
60539-06-2
Created by admin on Sat Dec 16 08:33:37 GMT 2023 , Edited by admin on Sat Dec 16 08:33:37 GMT 2023
PRIMARY
FDA UNII
E0RKE8A64V
Created by admin on Sat Dec 16 08:33:37 GMT 2023 , Edited by admin on Sat Dec 16 08:33:37 GMT 2023
PRIMARY
PUBCHEM
92135897
Created by admin on Sat Dec 16 08:33:37 GMT 2023 , Edited by admin on Sat Dec 16 08:33:37 GMT 2023
PRIMARY
SMS_ID
300000037465
Created by admin on Sat Dec 16 08:33:37 GMT 2023 , Edited by admin on Sat Dec 16 08:33:37 GMT 2023
PRIMARY