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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H31NO2
Molecular Weight 317.4656
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DERAMCICLANE N-OXIDE

SMILES

[H][C@]12CC[C@](C)(C1(C)C)[C@@](C2)(OCC[N+](C)(C)[O-])C3=CC=CC=C3

InChI

InChIKey=GOIPRPAXSQPLDZ-RLLQIKCJSA-N
InChI=1S/C20H31NO2/c1-18(2)17-11-12-19(18,3)20(15-17,16-9-7-6-8-10-16)23-14-13-21(4,5)22/h6-10,17H,11-15H2,1-5H3/t17-,19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H32NO2
Molecular Weight 318.4736
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:18:24 GMT 2023
Edited
by admin
on Sat Dec 16 16:18:24 GMT 2023
Record UNII
RLI1F2GRN6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DERAMCICLANE N-OXIDE
Common Name English
ETHANAMINE, N,N-DIMETHYL-2-(((1R,2S,4R)-1,7,7-TRIMETHYL-2-PHENYLBICYCLO(2.2.1)HEPT-2-YL)OXY)-, N-OXIDE
Systematic Name English
ETHANAMINE, N,N-DIMETHYL-2-((1,7,7-TRIMETHYL-2-PHENYLBICYCLO(2.2.1)HEPT-2-YL)OXY)-, N-OXIDE, (1R-EXO)-
Systematic Name English
Code System Code Type Description
CAS
174411-38-2
Created by admin on Sat Dec 16 16:18:24 GMT 2023 , Edited by admin on Sat Dec 16 16:18:24 GMT 2023
PRIMARY
PUBCHEM
88200129
Created by admin on Sat Dec 16 16:18:24 GMT 2023 , Edited by admin on Sat Dec 16 16:18:24 GMT 2023
PRIMARY
FDA UNII
RLI1F2GRN6
Created by admin on Sat Dec 16 16:18:24 GMT 2023 , Edited by admin on Sat Dec 16 16:18:24 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
IN VITRO