S-8921

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H36O9
Molecular Weight	540.6014
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCC(CC)CC(=O)C1=C(O)C2=CC(OC)=C(OC)C(OC)=C2C(C3=CC=C(OC)C(OC)=C3)=C1C(=O)OC

InChI

InChIKey=QEJQEIIPZKQCNP-UHFFFAOYSA-N

InChI=1S/C30H36O9/c1-9-16(10-2)13-19(31)25-26(30(33)39-8)23(17-11-12-20(34-3)21(14-17)35-4)24-18(27(25)32)15-22(36-5)28(37-6)29(24)38-7/h11-12,14-16,32H,9-10,13H2,1-8H3

HIDE SMILES / InChI

Molecular Formula	C30H36O9
Molecular Weight	540.6014
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 01:40:55 GMT 2023` Edited by `admin` on `Sat Dec 16 01:40:55 GMT 2023`
Record UNII	N8VG5BXF86
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

S-8921

Code

English

S8921

Code

English

2-NAPHTHALENECARBOXYLIC ACID, 1-(3,4-DIMETHOXYPHENYL)-3-(3-ETHYL-1-OXOPENTYL)-4-HYDROXY-6,7,8-TRIMETHOXY-, METHYL ESTER

Systematic Name

English

METHYL 1-(3,4-DIMETHOXYPHENYL)-3-(3-ETHYLPENTANOYL)-4-HYDROXY-6,7,8-TRIMETHOXY-NAPHTHALENE-2-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

153965

Created by admin on Sat Dec 16 01:40:55 GMT 2023 , Edited by admin on Sat Dec 16 01:40:55 GMT 2023

PRIMARY

EPA CompTox

DTXSID70164724

Created by admin on Sat Dec 16 01:40:55 GMT 2023 , Edited by admin on Sat Dec 16 01:40:55 GMT 2023

PRIMARY

CAS

151165-96-7

Created by admin on Sat Dec 16 01:40:55 GMT 2023 , Edited by admin on Sat Dec 16 01:40:55 GMT 2023

PRIMARY

FDA UNII

N8VG5BXF86

Created by admin on Sat Dec 16 01:40:55 GMT 2023 , Edited by admin on Sat Dec 16 01:40:55 GMT 2023

PRIMARY

Related Record Type Details


					N8VG5BXF86

S-8921

ACTIVE MOIETY

Comments:

The IC50 value of S-8921 against 60 μM of [3H] taurocholate uptake was 66 ? 8 μM and kinetic analysis revealed that the inhibition by 100 μM of S-8921 was a mixture of competitive and non-competitive types.