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Details

Stereochemistry ACHIRAL
Molecular Formula C20H21NO
Molecular Weight 291.3868
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOBENZAPRINE N-OXIDE

SMILES

C[N+](C)([O-])CCC=C1C2=C(C=CC=C2)C=CC3=C1C=CC=C3

InChI

InChIKey=CWVULMRJHWMZLY-UHFFFAOYSA-N
InChI=1S/C20H21NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H21NO
Molecular Weight 291.3868
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 11:16:58 UTC 2023
Edited
by admin
on Thu Jul 06 11:16:58 UTC 2023
Record UNII
7TP3TV1XES
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOBENZAPRINE N-OXIDE
Common Name English
1-PROPANAMINE, 3-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)-N,N-DIMETHYL-, N-OXIDE
Systematic Name English
CYCLOBENZAPRINE N-OXIDE [USP IMPURITY]
Common Name English
3-(5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLIDENE)-N,N-DIMETHYL-1-PROPANAMINE N-OXIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
6455374
Created by admin on Thu Jul 06 11:16:58 UTC 2023 , Edited by admin on Thu Jul 06 11:16:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID20216929
Created by admin on Thu Jul 06 11:16:58 UTC 2023 , Edited by admin on Thu Jul 06 11:16:58 UTC 2023
PRIMARY
CAS
6682-26-4
Created by admin on Thu Jul 06 11:16:58 UTC 2023 , Edited by admin on Thu Jul 06 11:16:58 UTC 2023
PRIMARY
FDA UNII
7TP3TV1XES
Created by admin on Thu Jul 06 11:16:58 UTC 2023 , Edited by admin on Thu Jul 06 11:16:58 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP