CJ-040714 EDISYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C23H34N4O4.C2H6O6S2
Molecular Weight	1051.276
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)CCS(O)(=O)=O.CC(C)N1C(=O)N(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)C4=C1C=CC=C4.CC(C)N5C(=O)N(C(=O)NCC6CCN(CC7(O)CCOCC7)CC6)C8=C5C=CC=C8

InChI

InChIKey=XKSSMJBTAHOSIS-UHFFFAOYSA-N

InChI=1S/2C23H34N4O4.C2H6O6S2/c2*1-17(2)26-19-5-3-4-6-20(19)27(22(26)29)21(28)24-15-18-7-11-25(12-8-18)16-23(30)9-13-31-14-10-23;3-9(4,5)1-2-10(6,7)8/h2*3-6,17-18,30H,7-16H2,1-2H3,(H,24,28);1-2H2,(H,3,4,5)(H,6,7,8)

HIDE SMILES / InChI

Molecular Formula	C2H6O6S2
Molecular Weight	190.195
Charge	0
Count

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

Molecular Formula	C23H34N4O4
Molecular Weight	430.5405
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 `Fri Dec 15 19:19:13 UTC 2023` Edited by `admin` on `Fri Dec 15 19:19:13 UTC 2023`
Record UNII	P02QR5KGS5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CJ-040714 EDISYLATE

Common Name

English

1,2-ETHANEDISULFONIC ACID, COMPD. WITH 2,3-DIHYDRO-3-(1-METHYLETHYL)-2-OXO-N-((1-((TETRAHYDRO-4-HYDROXY-2H-PYRAN-4-YL)METHYL)-4-PIPERIDINYL)METHYL)-1H-BENZIMIDAZOLE-1-CARBOXAMIDE (1:2)

Common Name

English

CJ-040714 HEMI-EDISYLATE SALT

Common Name

English

CJ-040,714 HEMI-EDISYLATE SALT

Common Name

English

Code System Code Type Description

FDA UNII

P02QR5KGS5

Created by admin on Fri Dec 15 19:19:13 UTC 2023 , Edited by admin on Fri Dec 15 19:19:13 UTC 2023

PRIMARY

CAS

847605-12-3

Created by admin on Fri Dec 15 19:19:13 UTC 2023 , Edited by admin on Fri Dec 15 19:19:13 UTC 2023

PRIMARY

EPA CompTox

DTXSID30233788

Created by admin on Fri Dec 15 19:19:13 UTC 2023 , Edited by admin on Fri Dec 15 19:19:13 UTC 2023

PRIMARY

PUBCHEM

71587808

Created by admin on Fri Dec 15 19:19:13 UTC 2023 , Edited by admin on Fri Dec 15 19:19:13 UTC 2023

PRIMARY

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