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Details

Stereochemistry UNKNOWN
Molecular Formula C18H29NO6
Molecular Weight 355.426
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-(DESISOPROPYL)-O-(1-CARBOXYETHYL) BISOPROLOL

SMILES

CC(C)NCC(O)COC1=CC=C(COCCOC(C)C(O)=O)C=C1

InChI

InChIKey=SABXUALGJDKAEK-UHFFFAOYSA-N
InChI=1S/C18H29NO6/c1-13(2)19-10-16(20)12-25-17-6-4-15(5-7-17)11-23-8-9-24-14(3)18(21)22/h4-7,13-14,16,19-20H,8-12H2,1-3H3,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C18H29NO6
Molecular Weight 355.426
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:09:28 GMT 2023
Edited
by admin
on Sat Dec 16 09:09:28 GMT 2023
Record UNII
4ANX22838L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-(DESISOPROPYL)-O-(1-CARBOXYETHYL) BISOPROLOL
Common Name English
BISOPROLOL (M2)
Common Name English
PROPANOIC ACID, 2-(2-((4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)METHOXY)ETHOXY)-
Systematic Name English
Code System Code Type Description
CAS
109791-17-5
Created by admin on Sat Dec 16 09:09:28 GMT 2023 , Edited by admin on Sat Dec 16 09:09:28 GMT 2023
PRIMARY
FDA UNII
4ANX22838L
Created by admin on Sat Dec 16 09:09:28 GMT 2023 , Edited by admin on Sat Dec 16 09:09:28 GMT 2023
PRIMARY
PUBCHEM
91810599
Created by admin on Sat Dec 16 09:09:28 GMT 2023 , Edited by admin on Sat Dec 16 09:09:28 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
The AUC and elimination half-life of (S)-(-)-bisoprolol were slightly larger than those of (R)-(+)-bisoprolol. In vitro: stereoselectively of CYP2D6 (R > S) and CYP3A4 was not stereoselective.
IN-VITRO