LY-79771

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23NO2.ClH
Molecular Weight	321.842
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.C[C@@H](CCC1=CC=C(O)C=C1)NC[C@H](O)C2=CC=CC=C2

InChI

InChIKey=SBGSKJIIRMOMTL-DJKAKHFESA-N

InChI=1S/C18H23NO2.ClH/c1-14(7-8-15-9-11-17(20)12-10-15)19-13-18(21)16-5-3-2-4-6-16;/h2-6,9-12,14,18-21H,7-8,13H2,1H3;1H/t14-,18-;/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	C18H23NO2
Molecular Weight	285.3807
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:08:30 GMT 2023` Edited by `admin` on `Fri Dec 15 18:08:30 GMT 2023`
Record UNII	GW48V1582Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LY-79771

Common Name

English

BENZENEMETHANOL, .ALPHA.-((((1S)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)METHYL)-, HYDROCHLORIDE (1:1), (.ALPHA.R)-

Systematic Name

English

LILLY 79771

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60995761

Created by admin on Fri Dec 15 18:08:31 GMT 2023 , Edited by admin on Fri Dec 15 18:08:31 GMT 2023

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FDA UNII

GW48V1582Z

Created by admin on Fri Dec 15 18:08:31 GMT 2023 , Edited by admin on Fri Dec 15 18:08:31 GMT 2023

PRIMARY

CAS

74248-92-3

Created by admin on Fri Dec 15 18:08:31 GMT 2023 , Edited by admin on Fri Dec 15 18:08:31 GMT 2023

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PUBCHEM

173269

Created by admin on Fri Dec 15 18:08:31 GMT 2023 , Edited by admin on Fri Dec 15 18:08:31 GMT 2023

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