Penbutolol hydrochloride, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H29NO2.ClH
Molecular Weight	327.889
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Penbutolol hydrochloride, (+)-

Structure Search

SMILES

Cl.CC(C)(C)NC[C@@H](O)COC1=CC=CC=C1C2CCCC2

InChI

InChIKey=ITZWQFLTSRCDPC-XFULWGLBSA-N

InChI=1S/C18H29NO2.ClH/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14;/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3;1H/t15-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C18H29NO2
Molecular Weight	291.4284
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:05:38 GMT 2025` Edited by `admin` on `Wed Apr 02 20:05:38 GMT 2025`
Record UNII	98LM8FT4PX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(R)-Penbutolol hydrochloride

Preferred Name

English

Penbutolol hydrochloride, (+)-

Common Name

English

(2R)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol hydrochloride

Systematic Name

English

2-Propanol, 1-(2-cyclopentylphenoxy)-3-[(1,1-dimethylethyl)amino]-, hydrochloride, (R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40858284

Created by admin on Wed Apr 02 20:05:38 GMT 2025 , Edited by admin on Wed Apr 02 20:05:38 GMT 2025

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CAS

57130-27-5

Created by admin on Wed Apr 02 20:05:38 GMT 2025 , Edited by admin on Wed Apr 02 20:05:38 GMT 2025

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FDA UNII

98LM8FT4PX

Created by admin on Wed Apr 02 20:05:38 GMT 2025 , Edited by admin on Wed Apr 02 20:05:38 GMT 2025

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PUBCHEM

71751480

Created by admin on Wed Apr 02 20:05:38 GMT 2025 , Edited by admin on Wed Apr 02 20:05:38 GMT 2025

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