3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-HYDROXY-4-(P-(2-(1-PYRROLIDYL)ETHOXY)PHENYL)-2H-1-BENZOTHIAPYRAN HYDROCHLORIDE

Details

Stereochemistry	MIXED
Molecular Formula	C28H31NO3S.ClH
Molecular Weight	498.077
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-HYDROXY-4-(P-(2-(1-PYRROLIDYL)ETHOXY)PHENYL)-2H-1-BENZOTHIAPYRAN HYDROCHLORIDE

Structure Search

SMILES

Cl.COC1=CC=C2C(SCC(C3=CC=CC=C3)C2(O)C4=CC=C(OCCN5CCCC5)C=C4)=C1

InChI

InChIKey=DLMLIHTZOIAPPS-UHFFFAOYSA-N

InChI=1S/C28H31NO3S.ClH/c1-31-24-13-14-25-27(19-24)33-20-26(21-7-3-2-4-8-21)28(25,30)22-9-11-23(12-10-22)32-18-17-29-15-5-6-16-29;/h2-4,7-14,19,26,30H,5-6,15-18,20H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula	C28H31NO3S
Molecular Weight	461.616
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:37:10 GMT 2023` Edited by `admin` on `Sat Dec 16 11:37:10 GMT 2023`
Record UNII	1XHI546Y1B
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-HYDROXY-4-(P-(2-(1-PYRROLIDYL)ETHOXY)PHENYL)-2H-1-BENZOTHIAPYRAN HYDROCHLORIDE

Common Name

English

2H-1-BENZOTHIOPYRAN-4-OL, 3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

4-THIOCHROMANOL, 7-METHOXY-3-PHENYL-4-(P-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-, HYDROCHLORIDE

Common Name

English

Code System Code Type Description

FDA UNII

1XHI546Y1B

Created by admin on Sat Dec 16 11:37:10 GMT 2023 , Edited by admin on Sat Dec 16 11:37:10 GMT 2023

PRIMARY

CAS

16879-01-9

Created by admin on Sat Dec 16 11:37:10 GMT 2023 , Edited by admin on Sat Dec 16 11:37:10 GMT 2023

PRIMARY

PUBCHEM

28120

Created by admin on Sat Dec 16 11:37:10 GMT 2023 , Edited by admin on Sat Dec 16 11:37:10 GMT 2023

PRIMARY

EPA CompTox

DTXSID40937548

Created by admin on Sat Dec 16 11:37:10 GMT 2023 , Edited by admin on Sat Dec 16 11:37:10 GMT 2023

PRIMARY

Related Record Type Details


					MGW8PWG95L

3,4-DIHYDRO-7-METHOXY-3-PHENYL-4-HYDROXY-4-(P-(2-(1-PYRROLIDYL)ETHOXY)PHENYL)-2H-1-BENZOTHIAPYRAN

PARENT -> SALT/SOLVATE