U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H33NO3.ClH
Molecular Weight 395.963
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOMETHYCAINE HYDROCHLORIDE, (S)-

SMILES

Cl.C[C@H]1CCCCN1CCCOC(=O)C2=CC=C(OC3CCCCC3)C=C2

InChI

InChIKey=UFWWXJRCWHOHOQ-FERBBOLQSA-N
InChI=1S/C22H33NO3.ClH/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20;/h11-14,18,20H,2-10,15-17H2,1H3;1H/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C22H33NO3
Molecular Weight 359.5023
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
YZ9MWK083J
Record Status Validated (UNII)
Record Version