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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H31NO2
Molecular Weight 353.4977
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BETACETYLMETHADOL

SMILES

CC[C@H](OC(C)=O)C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=XBMIVRRWGCYBTQ-GCJKJVERSA-N
InChI=1S/C23H31NO2/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/t18-,22+/m1/s1

HIDE SMILES / InChI

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

PubMed

PubMed

TitleDatePubMed
Carbon-13 nuclear magnetic resonance study of the alpha- and beta- isomers of methadol and acetylmethadol hydrochlorides.
1978
Substance Class Chemical
Created
by admin
on Thu Jul 06 23:05:48 UTC 2023
Edited
by admin
on Thu Jul 06 23:05:48 UTC 2023
Record UNII
905GLN509G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BETACETYLMETHADOL
INN  
INN  
Official Name English
(3S,6R)-3-ACETOXY-6-DIMETHYLAMINO-4,4-DIPHENYLHEPTANE
Systematic Name English
ACSCN-9607
Common Name English
IDS-NB-003
Code English
BENZENEETHANOL, .BETA.-((2R)-2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, 1-ACETATE, (.ALPHA.S)-
Systematic Name English
.BETA.-3-ACETOXY-6-DIMETHYLAMINO-4,4-DIPHENYLHEPTANE
Systematic Name English
betacetylmethadol [INN]
Common Name English
Classification Tree Code System Code
DEA NO. 9607
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
NCI_THESAURUS C67413
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
Code System Code Type Description
EVMPD
SUB05792MIG
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
PRIMARY
CAS
17199-59-6
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID30169199
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
PRIMARY
NCI_THESAURUS
C77278
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
PRIMARY
WIKIPEDIA
BETACETYLMETHADOL
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
PRIMARY
INN
353
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
PRIMARY
PUBCHEM
62710
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
PRIMARY
FDA UNII
905GLN509G
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
PRIMARY
SMS_ID
100000086094
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105619
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
PRIMARY
DRUG BANK
DB01522
Created by admin on Thu Jul 06 23:05:48 UTC 2023 , Edited by admin on Thu Jul 06 23:05:48 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY