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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H23NO
Molecular Weight 293.4027
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(3-(DIMETHYLAMINO)PROPYL)-5H-DIBENZO(A,D)-CYCLOHEPTEN-5-OL

SMILES

CN(C)CCCC1(O)C2=C(C=CC=C2)C=CC3=C1C=CC=C3

InChI

InChIKey=VMLRQKQUOMJJAN-UHFFFAOYSA-N
InChI=1S/C20H23NO/c1-21(2)15-7-14-20(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-13,22H,7,14-15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H23NO
Molecular Weight 293.4027
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 11:11:25 GMT 2023
Edited
by admin
on Sat Dec 16 11:11:25 GMT 2023
Record UNII
T0G51SY89M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(3-(DIMETHYLAMINO)PROPYL)-5H-DIBENZO(A,D)-CYCLOHEPTEN-5-OL
Systematic Name English
5H-DIBENZO(A,D)CYCLOHEPTEN-5-OL, 5-(3-(DIMETHYLAMINO)PROPYL)-
Systematic Name English
CYCLOBENZAPRINE RELATED COMPOUND A [USP-RS]
Common Name English
CYCLOBENZAPRINE RELATED COMPOUND A [USP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
T0G51SY89M
Created by admin on Sat Dec 16 11:11:25 GMT 2023 , Edited by admin on Sat Dec 16 11:11:25 GMT 2023
PRIMARY
ECHA (EC/EINECS)
241-944-5
Created by admin on Sat Dec 16 11:11:25 GMT 2023 , Edited by admin on Sat Dec 16 11:11:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID30170942
Created by admin on Sat Dec 16 11:11:25 GMT 2023 , Edited by admin on Sat Dec 16 11:11:25 GMT 2023
PRIMARY
RS_ITEM_NUM
1154514
Created by admin on Sat Dec 16 11:11:25 GMT 2023 , Edited by admin on Sat Dec 16 11:11:25 GMT 2023
PRIMARY
CAS
18029-54-4
Created by admin on Sat Dec 16 11:11:25 GMT 2023 , Edited by admin on Sat Dec 16 11:11:25 GMT 2023
PRIMARY
PUBCHEM
87418
Created by admin on Sat Dec 16 11:11:25 GMT 2023 , Edited by admin on Sat Dec 16 11:11:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP