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Details

Stereochemistry RACEMIC
Molecular Formula 2C18H31NO4.C4H4O4
Molecular Weight 766.9582
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BISOPROLOL FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CC(C)NCC(O)COC1=CC=C(COCCOC(C)C)C=C1.CC(C)NCC(O)COC2=CC=C(COCCOC(C)C)C=C2

InChI

InChIKey=VMDFASMUILANOL-WXXKFALUSA-N
InChI=1S/2C18H31NO4.C4H4O4/c2*1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4;5-3(6)1-2-4(7)8/h2*5-8,14-15,17,19-20H,9-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

HIDE SMILES / InChI
Molecular Formula C18H31NO4
Molecular Weight 325.443
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )
Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:04:11 UTC 2023
Edited
by admin
on Fri Dec 15 15:04:11 UTC 2023
Record UNII
UR59KN573L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BISOPROLOL FUMARATE
EP   JAN   MART.   ORANGE BOOK   USAN   USP   USP-RS   VANDF   WHO-DD  
USAN  
Official Name English
2-PROPANOL, 1-(4-((2-(1-METHYLETHOXY)ETHOXY)METHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-, (±)-, (E)-2-BUTENEDIOATE (2:1) (SALT)
Common Name English
BISOPROLOL FUMARATE [VANDF]
Common Name English
(±)-1-((.ALPHA.-(2-ISOPROPOXYETHOXY)-P-TOLYL)OXY)-3-(ISOPROPYLAMINO)-2-PROPANOL FUMARATE (2:1) (SALT)
Common Name English
DETENSIEL
Brand Name English
ISOTEN
Brand Name English
Bisoprolol fumarate [WHO-DD]
Common Name English
BISOPROLOL HEMIFUMARATE [MI]
Common Name English
BISOPROLOL FUMARATE [USP MONOGRAPH]
Common Name English
EURADAL
Brand Name English
ZIAC COMPONENT BISOPROLOL FUMARATE
Common Name English
CL-297939
Code English
BISOPROLOL FUMARATE [USAN]
Common Name English
BISOPROLOL FUMARATE COMPONENT OF ZIAC
Common Name English
CL 297,939
Code English
EMD-33512
Code English
MONOCOR
Brand Name English
CONCOR
Brand Name English
EMCONCOR
Brand Name English
BISOPROLOL FUMARATE [EP MONOGRAPH]
Common Name English
BISOPROLOL FUMARATE [USP IMPURITY]
Common Name English
BISOPROLOL FUMARATE [USP-RS]
Common Name English
2-PROPANOL, 1-(4-((2-(1-METHYLETHOXY)ETHOXY)METHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-, (2E)-2-BUTENEDIOATE (2:1)
Systematic Name English
ZEBETA
Brand Name English
EMD-33-512
Code English
BISOPROLOL FUMARATE [ORANGE BOOK]
Common Name English
BISOPROLOL FUMARATE [JAN]
Common Name English
BISOPROLOL HEMIFUMARATE
MI  
Common Name English
BISOPROLOL FUMARATE [MART.]
Common Name English
EMCOR
Brand Name English
SOPROL
Brand Name English
SPERIDOL
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C29576
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL645
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
EVMPD
SUB00832MIG
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
RXCUI
142146
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY RxNorm
EPA CompTox
DTXSID1045794
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
USAN
Z-14
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
MERCK INDEX
m2565
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C28871
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
SMS_ID
100000092741
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
RS_ITEM_NUM
1075757
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
DRUG BANK
DBSALT001015
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
CAS
104344-23-2
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
EVMPD
SUB31068
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
FDA UNII
UR59KN573L
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
DAILYMED
UR59KN573L
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
PUBCHEM
5281064
Created by admin on Fri Dec 15 15:04:11 UTC 2023 , Edited by admin on Fri Dec 15 15:04:11 UTC 2023
PRIMARY
Related Record Type Details
Structure of BISOPROLOL FUMARATE, (S)-
ENANTIOMER -> RACEMATE
Structure of BISOPROLOL
PARENT -> SALT/SOLVATE
Structure of BISOPROLOL FUMARATE, (R)-
ENANTIOMER -> RACEMATE
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Structure of DEHYDRO BISOPROLOL, (E)-
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Structure of 1-((1-METHYLETHYL)AMINO)-3-(4-((2-PROPOXYETHOXY)METHYL)PHENOXY)-2-PROPANOL
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Structure of 2-[4-[[2-(1-Methylethoxy)ethoxy]methyl]phenoxy]-3-[(1-methylethyl)amino]-1-propanol
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IMPURITY -> PARENT
Structure of 4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzenemethanol
IMPURITY -> PARENT
Structure of 4-[[3-(1-Methylethyl)-2-oxo-5-oxazolidinyl]methoxy]benzaldehyde
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Structure of (2RS)-1-(4-(((2-ISOPROPOXYETHOXY)METHOXY)METHYL)PHENOXY)-3-ISOPROPYLAMINOPROPAN-2-OL
IMPURITY -> PARENT
Structure of 2-(1-Methylethoxy)ethyl 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]benzoate
IMPURITY -> PARENT
Related Record Type Details
Structure of BISOPROLOL
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