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Details

Stereochemistry MIXED
Molecular Formula C19H32NO2.Br
Molecular Weight 386.367
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VALETHAMATE BROMIDE

SMILES

[Br-].CCC(C)C(C(=O)OCC[N+](C)(CC)CC)C1=CC=CC=C1

InChI

InChIKey=CEJGGHKJHDHLAZ-UHFFFAOYSA-M
InChI=1S/C19H32NO2.BrH/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3;/h9-13,16,18H,6-8,14-15H2,1-5H3;1H/q+1;/p-1

HIDE SMILES / InChI
Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C19H32NO2
Molecular Weight 306.4629
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:22:29 UTC 2023
Edited
by admin
on Fri Dec 15 15:22:29 UTC 2023
Record UNII
6XFR940M2A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VALETHAMATE BROMIDE
JAN   MART.   MI   WHO-DD  
Common Name English
Valethamate bromide [WHO-DD]
Common Name English
VALETHAMATE BROMIDE [JAN]
Common Name English
3-METHYL-2-PHENYLVALERIC ACID DIETHYL(3-HYDROXYETHYL)METHYLAMMONIUM BROMIDE ESTER
Common Name English
EPIDOSIN
Common Name English
VALETHAMATE BROMIDE [MI]
Common Name English
VALETHAMATE BROMIDE [MART.]
Common Name English
N,N-DIETHYL-N-METHYL-2-(3-METHYL-2-PHENYLVALERYLOXY)ETHYLAMMONIUM BROMIDE
Systematic Name English
N,N-DIETHYL-N-METHYL-2-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)ETHANAMINIUM BROMIDE
Systematic Name English
DIETHYL(2-HYDROXYETHYL)METHYLAMMONIUM 3-METHYL-2-PHENYLVALERATE BROMIDE
Systematic Name English
ETHANAMINIUM, N,N-DIETHYL-N-METHYL-2-((3-METHYL-1-OXO-2-PHENYLPENTYL)OXY)-, BROMIDE (1:1)
Systematic Name English
3-METHYL-2-PHENYLVALERIC ACID 2-DIETHYLAMINOETHYL ESTER METHYL BROMIDE
Systematic Name English
RESITAN
Common Name English
2-DIETHYLAMINOETHYL 2-PHENYL-3-METHYLVALERATE METHYL BROMIDE
Systematic Name English
2-PHENYL-3-METHYLVALERIC ACID .BETA.-(DIETHYLAMINO)ETHYL ESTER BROMOMETHYLATE
Common Name English
Code System Code Type Description
CAS
90-22-2
Created by admin on Fri Dec 15 15:22:29 UTC 2023 , Edited by admin on Fri Dec 15 15:22:29 UTC 2023
PRIMARY
FDA UNII
6XFR940M2A
Created by admin on Fri Dec 15 15:22:29 UTC 2023 , Edited by admin on Fri Dec 15 15:22:29 UTC 2023
PRIMARY
ECHA (EC/EINECS)
201-977-8
Created by admin on Fri Dec 15 15:22:29 UTC 2023 , Edited by admin on Fri Dec 15 15:22:29 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111176
Created by admin on Fri Dec 15 15:22:29 UTC 2023 , Edited by admin on Fri Dec 15 15:22:29 UTC 2023
PRIMARY
PUBCHEM
7010
Created by admin on Fri Dec 15 15:22:29 UTC 2023 , Edited by admin on Fri Dec 15 15:22:29 UTC 2023
PRIMARY
EVMPD
SUB15685MIG
Created by admin on Fri Dec 15 15:22:29 UTC 2023 , Edited by admin on Fri Dec 15 15:22:29 UTC 2023
PRIMARY
SMS_ID
100000076983
Created by admin on Fri Dec 15 15:22:29 UTC 2023 , Edited by admin on Fri Dec 15 15:22:29 UTC 2023
PRIMARY
DRUG BANK
DBSALT002829
Created by admin on Fri Dec 15 15:22:29 UTC 2023 , Edited by admin on Fri Dec 15 15:22:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID5049027
Created by admin on Fri Dec 15 15:22:29 UTC 2023 , Edited by admin on Fri Dec 15 15:22:29 UTC 2023
PRIMARY
MERCK INDEX
m11362
Created by admin on Fri Dec 15 15:22:29 UTC 2023 , Edited by admin on Fri Dec 15 15:22:29 UTC 2023
PRIMARY Merck Index
Related Record Type Details
Structure of VALETHAMATE
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