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Details

Stereochemistry RACEMIC
Molecular Formula C11H18N2O3S.ClH
Molecular Weight 294.798
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METALOL HYDROCHLORIDE

SMILES

Cl.CN[C@@H](C)[C@H](O)C1=CC=C(NS(C)(=O)=O)C=C1

InChI

InChIKey=OMGYZLAJZAMSKO-RWHJDYSMSA-N
InChI=1S/C11H18N2O3S.ClH/c1-8(12-2)11(14)9-4-6-10(7-5-9)13-17(3,15)16;/h4-8,11-14H,1-3H3;1H/t8-,11-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C11H18N2O3S
Molecular Weight 258.337
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Originator

Curator's Comment: reference retrieved from https://link.springer.com/book/10.1007/978-1-4757-2085-3#about

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:27:54 GMT 2023
Edited
by admin
on Fri Dec 15 18:27:54 GMT 2023
Record UNII
7XTP5J0Y5D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METALOL HYDROCHLORIDE
USAN  
USAN  
Official Name English
THREO-METALOL HYDROCHLORIDE
Common Name English
METHANESULFONAMIDE, N-(4-((1R,2S)-1-HYDROXY-2-(METHYLAMINO)PROPYL)PHENYL)-, HYDROCHLORIDE (1:1), REL-
Systematic Name English
METALOL HYDROCHLORIDE [USAN]
Common Name English
4'-(1-HYDROXY-2-(METHYLAMINO)PROPYL)METHANESULFONANILIDE MONOHYDROCHLORIDE
Systematic Name English
MJ 1998
Code English
METHANESULFONAMIDE, N-(4-(1-HYDROXY-2-(METHYLAMINO)PROPYL)PHENYL)-, MONOHYDROCHLORIDE
Common Name English
MJ-1998
Code English
Code System Code Type Description
EPA CompTox
DTXSID70914968
Created by admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
PRIMARY
NCI_THESAURUS
C175128
Created by admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110946
Created by admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
PRIMARY
CAS
955-47-5
Created by admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
PRIMARY
PUBCHEM
72710679
Created by admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
PRIMARY
FDA UNII
7XTP5J0Y5D
Created by admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
PRIMARY
CAS
955-48-6
Created by admin on Fri Dec 15 18:27:55 GMT 2023 , Edited by admin on Fri Dec 15 18:27:55 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
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