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

Details

Stereochemistry MIXED
Molecular Formula C23H31NO2.ClH
Molecular Weight 389.959
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHADYL ACETATE HYDROCHLORIDE

SMILES

Cl.CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=UXBPQRGCVJOTNT-UHFFFAOYSA-N
InChI=1S/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H

HIDE SMILES / InChI

Molecular Formula C23H31NO2
Molecular Weight 353.4977
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:33:42 UTC 2023
Edited
by admin
on Sat Dec 16 05:33:42 UTC 2023
Record UNII
3ZD9WAO92T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHADYL ACETATE HYDROCHLORIDE
Common Name English
ACETYLMETHADOL HYDROCHLORIDE
Common Name English
BENZENEETHANOL, .BETA.-(2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, ACETATE (ESTER), HYDROCHLORIDE
Common Name English
Code System Code Type Description
FDA UNII
3ZD9WAO92T
Created by admin on Sat Dec 16 05:33:42 UTC 2023 , Edited by admin on Sat Dec 16 05:33:42 UTC 2023
PRIMARY
DRUG BANK
DBSALT002241
Created by admin on Sat Dec 16 05:33:42 UTC 2023 , Edited by admin on Sat Dec 16 05:33:42 UTC 2023
PRIMARY
PUBCHEM
38100
Created by admin on Sat Dec 16 05:33:42 UTC 2023 , Edited by admin on Sat Dec 16 05:33:42 UTC 2023
PRIMARY
EPA CompTox
DTXSID50959615
Created by admin on Sat Dec 16 05:33:42 UTC 2023 , Edited by admin on Sat Dec 16 05:33:42 UTC 2023
PRIMARY
CAS
38821-43-1
Created by admin on Sat Dec 16 05:33:42 UTC 2023 , Edited by admin on Sat Dec 16 05:33:42 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE