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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17BrN2.2ClH.H2O
Molecular Weight 408.161
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ZIMELDINE HYDROCHLORIDE

SMILES

O.Cl.Cl.CN(C)C\C=C(\C1=CC=C(Br)C=C1)C2=CN=CC=C2

InChI

InChIKey=WFUAVXYXJOQWAZ-GVKRCPFFSA-N
InChI=1S/C16H17BrN2.2ClH.H2O/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13;;;/h3-10,12H,11H2,1-2H3;2*1H;1H2/b16-9-;;;

HIDE SMILES / InChI

Molecular Formula C16H17BrN2
Molecular Weight 317.224
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 Fri Dec 15 15:23:42 UTC 2023
Edited
by admin
on Fri Dec 15 15:23:42 UTC 2023
Record UNII
2T97D1P85R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZIMELDINE HYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
(Z)-3-(1-(P-BROMOPHENYL)-3-(DIMETHYLAMINO)PROPENYL)PYRIDINE DIHYDROCHLORIDE MONOHYDRATE
Common Name English
2-PROPEN-1-AMINE, 3-(4-BROMOPHENYL)-N,N-DIMETHYL-3-(3-PYRIDINYL)-, (Z)-, DIHYDROCHLORIDE MONOHYDRATE
Common Name English
ZIMELDINE HCL
Common Name English
ZIMELDINE DIHYDROCHLORIDE MONOHYDRATE
MI  
Common Name English
Zimeldine hydrochloride [WHO-DD]
Common Name English
ZIMELDINE HYDROCHLORIDE [JAN]
Common Name English
H-102/09 HYDROCHLORIDE
Code English
ZIMELDINE HYDROCHLORIDE [USAN]
Common Name English
ZIMELDINE DIHYDROCHLORIDE MONOHYDRATE [MI]
Common Name English
H 102/09 HYDROCHLORIDE
Code English
ZIMELIDINE HYDROCHLORIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C94725
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
NCI_THESAURUS C265
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID7045815
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
PRIMARY
SMS_ID
100000087904
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
PRIMARY
USAN
O-57
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
PRIMARY
CAS
61129-30-4
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
PRIMARY
EVMPD
SUB05168MIG
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
PRIMARY
PUBCHEM
6420041
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
PRIMARY
NCI_THESAURUS
C152955
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
PRIMARY
DRUG BANK
DBSALT002851
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
PRIMARY
FDA UNII
2T97D1P85R
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
PRIMARY
ChEMBL
CHEMBL37744
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
PRIMARY
MERCK INDEX
m11595
Created by admin on Fri Dec 15 15:23:42 UTC 2023 , Edited by admin on Fri Dec 15 15:23:42 UTC 2023
PRIMARY Merck Index
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY