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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H31NO4
Molecular Weight 325.443
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(C)NC[C@H](O)COC1=CC=C(COCCOC(C)C)C=C1

InChI

InChIKey=VHYCDWMUTMEGQY-KRWDZBQOSA-N
InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3/t17-/m0/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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:07:26 UTC 2023
Edited
by admin
on Sat Dec 16 11:07:26 UTC 2023
Record UNII
N0P2X2L8U0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BISOPROLOL, (S)-
Common Name English
2-PROPANOL, 1-(4-((2-(1-METHYLETHOXY)ETHOXY)METHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-, (S)-
Systematic Name English
(2S)-1-(4-((2-(1-METHYLETHOXY)ETHOXY)METHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-2-PROPANOL
Systematic Name English
(S)-BISOPROLOL
Common Name English
(-)-BISOPROLOL
Common Name English
2-PROPANOL, 1-(4-((2-(1-METHYLETHOXY)ETHOXY)METHYL)PHENOXY)-3-((1-METHYLETHYL)AMINO)-, (2S)-
Systematic Name English
S-(-)-BISOPROLOL
Common Name English
Code System Code Type Description
PUBCHEM
10892731
Created by admin on Sat Dec 16 11:07:26 UTC 2023 , Edited by admin on Sat Dec 16 11:07:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID30872934
Created by admin on Sat Dec 16 11:07:26 UTC 2023 , Edited by admin on Sat Dec 16 11:07:26 UTC 2023
PRIMARY
CAS
99103-03-4
Created by admin on Sat Dec 16 11:07:26 UTC 2023 , Edited by admin on Sat Dec 16 11:07:26 UTC 2023
PRIMARY
FDA UNII
N0P2X2L8U0
Created by admin on Sat Dec 16 11:07:26 UTC 2023 , Edited by admin on Sat Dec 16 11:07:26 UTC 2023
PRIMARY
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