BTS-79018

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H27ClN2O3
Molecular Weight	402.914
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=CC=C1N2CCC(CNC[C@H]3COC4=CC=C(Cl)C=C4O3)CC2

InChI

InChIKey=QHLRKDSRGUZHSH-SFHVURJKSA-N

InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H27ClN2O3
Molecular Weight	402.914
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 `Mon Mar 31 21:48:47 GMT 2025` Edited by `admin` on `Mon Mar 31 21:48:47 GMT 2025`
Record UNII	W67ZB2FV61
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BTS-79018

Common Name

English

(-)-BTS-79018

Preferred Name

English

4-PIPERIDINEMETHANAMINE, N-(((2S)-7-CHLORO-2,3-DIHYDRO-1,4-BENZODIOXIN-2-YL)METHYL)-1-(2-METHOXYPHENYL)-

Systematic Name

English

Code System Code Type Description

CAS

246517-66-8

Created by admin on Mon Mar 31 21:48:47 GMT 2025 , Edited by admin on Mon Mar 31 21:48:47 GMT 2025

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FDA UNII

W67ZB2FV61

Created by admin on Mon Mar 31 21:48:47 GMT 2025 , Edited by admin on Mon Mar 31 21:48:47 GMT 2025

PRIMARY

PUBCHEM

9909113

Created by admin on Mon Mar 31 21:48:47 GMT 2025 , Edited by admin on Mon Mar 31 21:48:47 GMT 2025

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Related Record Type Details


					W67ZB2FV61

BTS-79018

ACTIVE MOIETY