XL-784

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C21H21ClF2N3O8S.Mg
Molecular Weight	1122.148
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Mg++].[H][C@@]1(CN(CCN1S(=O)(=O)C2=CC(F)=C(OC3=CC=C(Cl)C=C3)C(F)=C2)C(=O)OCCOC)C(=O)[N-]O.[H][C@@]4(CN(CCN4S(=O)(=O)C5=CC(F)=C(OC6=CC=C(Cl)C=C6)C(F)=C5)C(=O)OCCOC)C(=O)[N-]O

InChI

InChIKey=GFJGXZXOGWVJCN-ZMFXSWHNSA-L

InChI=1S/2C21H22ClF2N3O8S.Mg/c2*1-33-8-9-34-21(29)26-6-7-27(18(12-26)20(28)25-30)36(31,32)15-10-16(23)19(17(24)11-15)35-14-4-2-13(22)3-5-14;/h2*2-5,10-11,18H,6-9,12H2,1H3,(H2,25,28,30);/q;;+2/p-2/t2*18-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	Mg
Molecular Weight	24.305
Charge	2
Count

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

Molecular Formula	C21H21ClF2N3O8S
Molecular Weight	548.922
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:41:24 GMT 2023` Edited by `admin` on `Fri Dec 15 15:41:24 GMT 2023`
Record UNII	70N8WTD318
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

XL-784

Code

English

1-PIPERAZINECARBOXYLIC ACID, 4-((4-(4-CHLOROPHENOXY)-3,5-DIFLUOROPHENYL)SULFONYL)-3-((HYDROXYAMINO)CARBONYL)-, 2-METHOXYETHYL ESTER, MAGNESIUM SALT (2:1), (3R)-

Systematic Name

English

Code System Code Type Description

CAS

1146579-26-1

Created by admin on Fri Dec 15 15:41:24 GMT 2023 , Edited by admin on Fri Dec 15 15:41:24 GMT 2023

PRIMARY

CAS

1224964-36-6

Created by admin on Fri Dec 15 15:41:24 GMT 2023 , Edited by admin on Fri Dec 15 15:41:24 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

DRUG BANK

DB04991

Created by admin on Fri Dec 15 15:41:24 GMT 2023 , Edited by admin on Fri Dec 15 15:41:24 GMT 2023

PRIMARY

FDA UNII

70N8WTD318

Created by admin on Fri Dec 15 15:41:24 GMT 2023 , Edited by admin on Fri Dec 15 15:41:24 GMT 2023

PRIMARY

Related Record Type Details


					VMT9RQ4MLB

XL-784 FREE ACID

PARENT -> SALT/SOLVATE