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

Details

Stereochemistry RACEMIC
Molecular Formula C18H21N.ClH
Molecular Weight 287.827
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N-DIMETHYL-4,4-DIPHENYL-3-BUTEN-2-AMINE HYDROCHLORIDE

SMILES

Cl.CC(C=C(C1=CC=CC=C1)C2=CC=CC=C2)N(C)C

InChI

InChIKey=ZVTAYVQUGPGRAF-UHFFFAOYSA-N
InChI=1S/C18H21N.ClH/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-15H,1-3H3;1H

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 C18H21N
Molecular Weight 251.366
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Clinical pharmacokinetics of ketobemidone. Its bioavailability after rectal administration.
1981 Feb
Histamine release from human basophils and isolated rat mast cells induced by ketobemidone, pethidine and the spasmolytic A29.
1982 Jan
5-HT-uptake inhibition potentiates antinociception induced by morphine, pethidine, methadone and ketobemidone in rats.
1985 Sep
Premedication for day-case surgery: double-blind comparison of ketobemidone + dimethylaminodiphenylbuten (A-29) and morphine + scopolamine.
1986 Oct
Analgesic effect and bioavailability of oral ketogan given as tablets or mixture to patients with chronic pain of malignant origin.
1988
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:50:58 GMT 2023
Edited
by admin
on Sat Dec 16 02:50:58 GMT 2023
Record UNII
DK0SQH68GQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N-DIMETHYL-4,4-DIPHENYL-3-BUTEN-2-AMINE HYDROCHLORIDE
Systematic Name English
A-29
Code English
DIMETHYLAMINODIPHENYLBUTENE HYDROCHLORIDE
Systematic Name English
Dimethyl-3,3-diphenyl-1-methylallylamine hydrochloride [WHO-DD]
Common Name English
3-BUTEN-2-AMINE, N,N-DIMETHYL-4,4-DIPHENYL-, HYDROCHLORIDE
Systematic Name English
ALLYLAMINE, N,N,1-TRIMETHYL-3,3-DIPHENYL-, HYDROCHLORIDE
Systematic Name English
CITALOPRAM RELATED COMPOUND F [USP-RS]
Common Name English
DIMETHYL-3,3-DIPHENYL-1-METHYLALLYLAMINE HYDROCHLORIDE
Common Name English
Code System Code Type Description
CAS
55011-89-7
Created by admin on Sat Dec 16 02:50:58 GMT 2023 , Edited by admin on Sat Dec 16 02:50:58 GMT 2023
PRIMARY
RS_ITEM_NUM
1134299
Created by admin on Sat Dec 16 02:50:59 GMT 2023 , Edited by admin on Sat Dec 16 02:50:59 GMT 2023
PRIMARY
SMS_ID
100000093023
Created by admin on Sat Dec 16 02:50:59 GMT 2023 , Edited by admin on Sat Dec 16 02:50:59 GMT 2023
PRIMARY
EVMPD
SUB13610MIG
Created by admin on Sat Dec 16 02:50:58 GMT 2023 , Edited by admin on Sat Dec 16 02:50:58 GMT 2023
PRIMARY
FDA UNII
DK0SQH68GQ
Created by admin on Sat Dec 16 02:50:59 GMT 2023 , Edited by admin on Sat Dec 16 02:50:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-432-5
Created by admin on Sat Dec 16 02:50:58 GMT 2023 , Edited by admin on Sat Dec 16 02:50:58 GMT 2023
PRIMARY
PUBCHEM
3047737
Created by admin on Sat Dec 16 02:50:59 GMT 2023 , Edited by admin on Sat Dec 16 02:50:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID80970373
Created by admin on Sat Dec 16 02:50:58 GMT 2023 , Edited by admin on Sat Dec 16 02:50:58 GMT 2023
PRIMARY
EVMPD
SUB28884
Created by admin on Sat Dec 16 02:50:58 GMT 2023 , Edited by admin on Sat Dec 16 02:50:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY