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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H21NO.C9H10N4O4
Molecular Weight 493.5548
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETANAUTINE

SMILES

CN1C2=C(N(CC(O)=O)C=N2)C(=O)N(C)C1=O.CN(C)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=UFKLOBYBVCBTBP-UHFFFAOYSA-N
InChI=1S/C17H21NO.C9H10N4O4/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h3-12,17H,13-14H2,1-2H3;4H,3H2,1-2H3,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C17H21NO
Molecular Weight 255.3547
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H10N4O4
Molecular Weight 238.2001
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 18:36:05 UTC 2019
Edited
by admin
on Tue Oct 22 18:36:05 UTC 2019
Record UNII
97H5S09M4T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETANAUTINE
Common Name English
7H-PURINE-7-ACETIC ACID, 1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-, COMPD. WITH 2-(DIPHENYLMETHOXY)-N,N-DIMETHYLETHANAMINE (1:1)
Common Name English
DIPHENHYDRAMINE MONOACEFYLLINATE
Common Name English
Classification Tree Code System Code
WHO-VATC QN04AB01
Created by admin on Tue Oct 22 18:36:06 UTC 2019 , Edited by admin on Tue Oct 22 18:36:06 UTC 2019
WHO-ATC N04AB01
Created by admin on Tue Oct 22 18:36:06 UTC 2019 , Edited by admin on Tue Oct 22 18:36:06 UTC 2019
Code System Code Type Description
PUBCHEM
10255142
Created by admin on Tue Oct 22 18:36:06 UTC 2019 , Edited by admin on Tue Oct 22 18:36:06 UTC 2019
PRIMARY
WIKIPEDIA
ETANAUTINE
Created by admin on Tue Oct 22 18:36:06 UTC 2019 , Edited by admin on Tue Oct 22 18:36:06 UTC 2019
PRIMARY
CAS
857401-00-4
Created by admin on Tue Oct 22 18:36:06 UTC 2019 , Edited by admin on Tue Oct 22 18:36:06 UTC 2019
PRIMARY
ChEMBL
CHEMBL3707215
Created by admin on Tue Oct 22 18:36:06 UTC 2019 , Edited by admin on Tue Oct 22 18:36:06 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY
ACTIVE MOIETY