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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23NO6.ClH
Molecular Weight 397.85
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTOCROLOL HYDROCHLORIDE, (S)-

SMILES

Cl.CC1=CC(=O)C2=C(O)C3=C(OC=C3)C(OC[C@@H](O)CNC(C)(C)C)=C2O1

InChI

InChIKey=OMNXUSQATUXCBP-MERQFXBCSA-N
InChI=1S/C19H23NO6.ClH/c1-10-7-13(22)14-15(23)12-5-6-24-16(12)18(17(14)26-10)25-9-11(21)8-20-19(2,3)4;/h5-7,11,20-21,23H,8-9H2,1-4H3;1H/t11-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C19H23NO6
Molecular Weight 361.389
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 10:28:57 GMT 2023
Edited
by admin
on Sat Dec 16 10:28:57 GMT 2023
Record UNII
SKL3S27809
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTOCROLOL HYDROCHLORIDE, (S)-
Common Name English
5H-FURO(3,2-G)(1)BENZOPYRAN-5-ONE, 9-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-4-HYDROXY-7-METHYL-, HYDROCHLORIDE (1:1), (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
91826992
Created by admin on Sat Dec 16 10:28:57 GMT 2023 , Edited by admin on Sat Dec 16 10:28:57 GMT 2023
PRIMARY
FDA UNII
SKL3S27809
Created by admin on Sat Dec 16 10:28:57 GMT 2023 , Edited by admin on Sat Dec 16 10:28:57 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER