ME-3229

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H36N2O8S
Molecular Weight	560.659
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCOC(=O)COC1=CC=C(C=C1OCC(=O)OCCCC)C(=O)CNC(=O)C2=CC3=C(CCNC3)S2

InChI

InChIKey=XGWXSBOXSZHECF-UHFFFAOYSA-N

InChI=1S/C28H36N2O8S/c1-3-5-11-35-26(32)17-37-22-8-7-19(13-23(22)38-18-27(33)36-12-6-4-2)21(31)16-30-28(34)25-14-20-15-29-10-9-24(20)39-25/h7-8,13-14,29H,3-6,9-12,15-18H2,1-2H3,(H,30,34)

HIDE SMILES / InChI

Molecular Formula	C28H36N2O8S
Molecular Weight	560.659
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 09:37:09 GMT 2023` Edited by `admin` on `Sat Dec 16 09:37:09 GMT 2023`
Record UNII	EFN4DL8ACC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ME-3229

Code

English

ACETIC ACID, 2,2'-((4-((((4,5,6,7-TETRAHYDROTHIENO(3,2-C)PYRIDIN-2-YL)CARBONYL)AMINO)ACETYL)-1,2-PHENYLENE)BIS(OXY))BIS-, 1,1'-DIBUTYL ESTER

Systematic Name

English

ME3229

Code

English

2,2'-(4-(2-(4,5,6,7-TETRAHYDROTHIENO(3,2-C)PYRIDIN-2-YLCARBOXAMIDO)ACETYL)-1,2-PHENYLENE)BIS(OXY)BIS(ACETIC ACID) DIBUTYL ESTER

Systematic Name

English

ACETIC ACID, 2,2'-((4-((((4,5,6,7-TETRAHYDROTHIENO(3,2-C)PYRIDIN-2-YL)CARBONYL)AMINO)ACETYL)-1,2-PHENYLENE)BIS(OXY))BIS-, DIBUTYL ESTER

Systematic Name

English

1,1'-DIBUTYL 2,2'-((4-((((4,5,6,7-TETRAHYDROTHIENO(3,2-C)PYRIDIN-2-YL)CARBONYL)AMINO)ACETYL)-1,2-PHENYLENE)BIS(OXY))BIS(ACETATE)

Systematic Name

English

Code System Code Type Description

PUBCHEM

9894028

Created by admin on Sat Dec 16 09:37:09 GMT 2023 , Edited by admin on Sat Dec 16 09:37:09 GMT 2023

PRIMARY

CAS

165949-40-6

Created by admin on Sat Dec 16 09:37:09 GMT 2023 , Edited by admin on Sat Dec 16 09:37:09 GMT 2023

PRIMARY

FDA UNII

EFN4DL8ACC

Created by admin on Sat Dec 16 09:37:09 GMT 2023 , Edited by admin on Sat Dec 16 09:37:09 GMT 2023

PRIMARY

Related Record Type Details


					EFN4DL8ACC

ME-3229

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