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

Details

Stereochemistry ABSOLUTE
Molecular Formula C14H27NO2.ClH
Molecular Weight 277.831
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(DIETHYLAMINO)ETHYL 3-METHYLCYCLOHEXANE-1-CARBOXYLATE, (1R,3S)-

SMILES

Cl.CCN(CC)CCOC(=O)[C@@H]1CCC[C@H](C)C1

InChI

InChIKey=RRSHQHYVWGNCJE-JHEYCYPBSA-N
InChI=1S/C14H27NO2.ClH/c1-4-15(5-2)9-10-17-14(16)13-8-6-7-12(3)11-13;/h12-13H,4-11H2,1-3H3;1H/t12-,13+;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H27NO2
Molecular Weight 241.3697
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:59:24 GMT 2025
Edited
by admin
on Tue Apr 01 19:59:24 GMT 2025
Record UNII
0IU0HY2A36
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(DIETHYLAMINO)ETHYL 3-METHYLCYCLOHEXANE-1-CARBOXYLATE, (1R,3S)-
Systematic Name English
NSC-75137
Preferred Name English
CYCLOHEXANECARBOXYLIC ACID, 3-METHYL-, (2-DIETHYLAMINOETHYL)ESTER, HYDROCHLORIDE, (Z)-
Common Name English
Code System Code Type Description
CAS
28657-02-5
Created by admin on Tue Apr 01 19:59:24 GMT 2025 , Edited by admin on Tue Apr 01 19:59:24 GMT 2025
PRIMARY
FDA UNII
0IU0HY2A36
Created by admin on Tue Apr 01 19:59:24 GMT 2025 , Edited by admin on Tue Apr 01 19:59:24 GMT 2025
PRIMARY
PUBCHEM
206742
Created by admin on Tue Apr 01 19:59:24 GMT 2025 , Edited by admin on Tue Apr 01 19:59:24 GMT 2025
PRIMARY
NSC
75137
Created by admin on Tue Apr 01 19:59:24 GMT 2025 , Edited by admin on Tue Apr 01 19:59:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID20182812
Created by admin on Tue Apr 01 19:59:24 GMT 2025 , Edited by admin on Tue Apr 01 19:59:24 GMT 2025
PRIMARY