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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C18H31NO4.C4H4O4
Molecular Weight 766.9582
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BISOPROLOL FUMARATE, (S)-

SMILES

OC(=O)\C=C\C(O)=O.CC(C)NC[C@H](O)COC1=CC=C(COCCOC(C)C)C=C1.CC(C)NC[C@H](O)COC2=CC=C(COCCOC(C)C)C=C2

InChI

InChIKey=VMDFASMUILANOL-BXRWSSRYSA-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+/t2*17-;/m00./s1

HIDE SMILES / InChI

Molecular Formula C18H31NO4
Molecular Weight 325.443
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:40:48 GMT 2023
Edited
by admin
on Sat Dec 16 01:40:48 GMT 2023
Record UNII
6G935I42TK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BISOPROLOL FUMARATE, (S)-
Common Name English
BISOPROLOL HEMIFUMARATE, (S)-
Common Name English
2-PROPANOL, 1-(4-((2-(1-METHYLETHOXY)ETHOXY)METHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-, (2S)-, (2E)-2-BUTENEDIOATE (2:1)
Systematic Name English
2-PROPANOL, 1-(4-((2-(1-METHYLETHOXY)ETHOXY)METHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-, (2S)-, (2E)-2-BUTENEDIOATE (2:1) (SALT)
Systematic Name English
2-PROPANOL, 1-(4-((2-(1-METHYLETHOXY)ETHOXY)METHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-, (2S)-, (E)-2-BUTENEDIOATE (2:1) (SALT)
Systematic Name English
Code System Code Type Description
PUBCHEM
73416219
Created by admin on Sat Dec 16 01:40:48 GMT 2023 , Edited by admin on Sat Dec 16 01:40:48 GMT 2023
PRIMARY
CAS
208523-18-6
Created by admin on Sat Dec 16 01:40:48 GMT 2023 , Edited by admin on Sat Dec 16 01:40:48 GMT 2023
PRIMARY
FDA UNII
6G935I42TK
Created by admin on Sat Dec 16 01:40:48 GMT 2023 , Edited by admin on Sat Dec 16 01:40:48 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER