PACTIMIBE SULFATE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C25H40N2O3.H2O4S
Molecular Weight	931.272
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.CCCCCCCCN1CCC2=C(C)C(CC(O)=O)=C(C)C(NC(=O)C(C)(C)C)=C12.CCCCCCCCN3CCC4=C(C)C(CC(O)=O)=C(C)C(NC(=O)C(C)(C)C)=C34

InChI

InChIKey=MKJQESRCXYYHFR-UHFFFAOYSA-N

InChI=1S/2C25H40N2O3.H2O4S/c2*1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6;1-5(2,3)4/h2*7-16H2,1-6H3,(H,26,30)(H,28,29);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C25H40N2O3
Molecular Weight	416.5967
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 06:40:15 UTC 2023` Edited by `admin` on `Sat Dec 16 06:40:15 UTC 2023`
Record UNII	FX3YKK43YM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PACTIMIBE SULFATE

Common Name

English

1H-INDOLE-5-ACETIC ACID, 7-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-2,3-DIHYDRO-4,6-DIMETHYL-1-OCTYL-, SULFATE (2:1)

Common Name

English

CS-505

Code

English

Code System Code Type Description

PUBCHEM

11953348

Created by admin on Sat Dec 16 06:40:15 UTC 2023 , Edited by admin on Sat Dec 16 06:40:15 UTC 2023

PRIMARY

FDA UNII

FX3YKK43YM

Created by admin on Sat Dec 16 06:40:15 UTC 2023 , Edited by admin on Sat Dec 16 06:40:15 UTC 2023

PRIMARY

EPA CompTox

DTXSID20209694

Created by admin on Sat Dec 16 06:40:15 UTC 2023 , Edited by admin on Sat Dec 16 06:40:15 UTC 2023

PRIMARY

CAS

608510-47-0

Created by admin on Sat Dec 16 06:40:15 UTC 2023 , Edited by admin on Sat Dec 16 06:40:15 UTC 2023

PRIMARY

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