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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38FN3O3.2ClH
Molecular Weight 568.551
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIBEFRADIL DIHYDROCHLORIDE

SMILES

Cl.Cl.COCC(=O)O[C@]3(CCN(C)CCCC1=NC2=CC=CC=C2N1)CCC4=CC(F)=CC=C4[C@@H]3C(C)C

InChI

InChIKey=MTJLQTFHJIHXIX-GDUXWEAWSA-N
InChI=1S/C29H38FN3O3.2ClH/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26;;/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32);2*1H/t28-,29-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C29H38FN3O3
Molecular Weight 495.6287
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 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 Fri Dec 15 15:53:57 UTC 2023
Edited
by admin
on Fri Dec 15 15:53:57 UTC 2023
Record UNII
842TUP3PQ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MIBEFRADIL DIHYDROCHLORIDE
MI   USAN   VANDF  
USAN  
Official Name English
POSICOR
Brand Name English
MIBEFRADIL HYDROCHLORIDE
MART.   WHO-DD  
Common Name English
(1S,2S)-[2-[[3-(2-Benzimidazolyl)propyl]methylamino]ethyl]-6-fluoro-1,2,3,4-tetrahydro-1-isopropyl-2-naphthyl methoxyacetate, dihydrochloride
Common Name English
MIBEFRADIL DIHYDROCHLORIDE [MI]
Common Name English
MIBEFRADIL DIHYDROCHLORIDE [VANDF]
Common Name English
ACETIC ACID, METHOXY-, 2-(2-((3-(1H-BENZIMIDAZOL-2-YL)PROPYL)METHYLAMINO)ETHYL)-6-FLUORO-1,2,3,4-TETRAHYDRO-1-(1-METHYLETHYL)-2-NAPHTHALENYL ESTER, DIHYDROCHLORIDE, (1S-CIS)-
Common Name English
RO 40-5967/001
Code English
Mibefradil hydrochloride [WHO-DD]
Common Name English
MIBEFRADIL DIHYDROCHLORIDE [USAN]
Common Name English
MIBEFRADIL HYDROCHLORIDE [MART.]
Common Name English
RO-40-5967/001
Code English
Classification Tree Code System Code
NCI_THESAURUS C333
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL45816
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY
EPA CompTox
DTXSID8044204
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY
RXCUI
83214
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY RxNorm
FDA UNII
842TUP3PQ8
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY
MERCK INDEX
m7522
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY Merck Index
CAS
116666-63-8
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY
DRUG BANK
DBSALT002896
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY
USAN
FF-64
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY
SMS_ID
100000086229
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY
NCI_THESAURUS
C87687
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY
PUBCHEM
60662
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY
EVMPD
SUB20668
Created by admin on Fri Dec 15 15:53:57 UTC 2023 , Edited by admin on Fri Dec 15 15:53:57 UTC 2023
PRIMARY
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ACTIVE MOIETY