ACOLBIFENE HYDROCHLORIDE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H31NO4.ClH
Molecular Weight	494.022
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACOLBIFENE HYDROCHLORIDE

Structure Search

SMILES

Cl.CC1=C([C@@H](OC2=C1C=CC(O)=C2)C3=CC=C(OCCN4CCCCC4)C=C3)C5=CC=C(O)C=C5

InChI

InChIKey=BYQDPIXWTVEVEA-JMAPEOGHSA-N

InChI=1S/C29H31NO4.ClH/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30;/h5-14,19,29,31-32H,2-4,15-18H2,1H3;1H/t29-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ACOLBIFENE HYDROCHLORIDE

Official Name

English

(2S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-(4-(2-PIPERIDIN-1-YLETHOXY)PHENYL)-2H-CHROMEN-7-OL, HYDROCHLORIDE

Systematic Name

English

SCH57068 HCL

Code

English

ACOLBIFENE HYDROCHLORIDE [USAN]

Common Name

English

2H-1-BENZOPYRAN-7-OL, 3-(4-HYDROXYPHENYL)-4-METHYL-2-(4-(2-(1-PIPERIDINYL)ETHOXY)PHENYL)-, HYDROCHLORIDE, (2S)-

Systematic Name

English

ACOLBIFENE HCL

Common Name

English

SCH-57068 HYDROCHLORIDE

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1821

Created by admin on Fri Dec 15 16:14:16 UTC 2023 , Edited by admin on Fri Dec 15 16:14:16 UTC 2023

Code System Code Type Description

FDA UNII

KXC7811DBY

Created by admin on Fri Dec 15 16:14:16 UTC 2023 , Edited by admin on Fri Dec 15 16:14:16 UTC 2023

PRIMARY

USAN

LL-83

Created by admin on Fri Dec 15 16:14:16 UTC 2023 , Edited by admin on Fri Dec 15 16:14:16 UTC 2023

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CAS

252555-01-4

Created by admin on Fri Dec 15 16:14:16 UTC 2023 , Edited by admin on Fri Dec 15 16:14:16 UTC 2023

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ChEMBL

CHEMBL68055

Created by admin on Fri Dec 15 16:14:16 UTC 2023 , Edited by admin on Fri Dec 15 16:14:16 UTC 2023

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NCI_THESAURUS

C65213

Created by admin on Fri Dec 15 16:14:16 UTC 2023 , Edited by admin on Fri Dec 15 16:14:16 UTC 2023

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SMS_ID

300000044626

Created by admin on Fri Dec 15 16:14:16 UTC 2023 , Edited by admin on Fri Dec 15 16:14:16 UTC 2023

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PUBCHEM

155436

Created by admin on Fri Dec 15 16:14:16 UTC 2023 , Edited by admin on Fri Dec 15 16:14:16 UTC 2023

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EPA CompTox

DTXSID30948108

Created by admin on Fri Dec 15 16:14:16 UTC 2023 , Edited by admin on Fri Dec 15 16:14:16 UTC 2023

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ACTIVE MOIETY


					815LJ9X0D1

SUBSTANCE RECORD


					KXC7811DBY

ACOLBIFENE HYDROCHLORIDE