FR-86521

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H23N9O6S2.ClH
Molecular Weight	574.034
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@]12SCC(CN3C=CC(=N)N3CCO)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\C4=NSC(N)=N4)C(O)=O

InChI

InChIKey=ZJEUAMFIXOBBRL-IEPLSYDESA-N

InChI=1S/C19H23N9O6S2.ClH/c1-2-34-24-11(14-23-19(21)36-25-14)15(30)22-12-16(31)28-13(18(32)33)9(8-35-17(12)28)7-26-4-3-10(20)27(26)5-6-29;/h3-4,12,17,20,29H,2,5-8H2,1H3,(H,22,30)(H,32,33)(H2,21,23,25);1H/b20-10?,24-11-;/t12-,17-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C19H23N9O6S2
Molecular Weight	537.573
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
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 10:58:41 UTC 2023` Edited by `admin` on `Sat Dec 16 10:58:41 UTC 2023`
Record UNII	DQS9SSZ3PF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FR-86521

Common Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((2Z)-(5-AMINO-1,2,4-THIADIAZOL-3-YL)(ETHOXYIMINO)ACETYL)AMINO)-3-((2,3-DIHYDRO-2-(2-HYDROXYETHYL)-3-IMINO-1H-PYRAZOL-1-YL)METHYL)-8-OXO-, MONOHYDROCHLORIDE, (6R,7R)-

Systematic Name

English

5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-(((5-AMINO-1,2,4-THIADIAZOL-3-YL)(ETHOXYIMINO)ACETYL)AMINO)-3-((2,3-DIHYDRO-2-(2-HYDROXYETHYL)-3-IMINO-1H-PYRAZOL-1-YL)METHYL)-8-OXO-, MONOHYDROCHLORIDE, (6R-(6.ALPHA.,7.BETA.(Z)))-

Systematic Name

English

Code System Code Type Description

FDA UNII

DQS9SSZ3PF

Created by admin on Sat Dec 16 10:58:41 UTC 2023 , Edited by admin on Sat Dec 16 10:58:41 UTC 2023

PRIMARY

PUBCHEM

9959820

Created by admin on Sat Dec 16 10:58:41 UTC 2023 , Edited by admin on Sat Dec 16 10:58:41 UTC 2023

PRIMARY

CAS

157436-96-9

Created by admin on Sat Dec 16 10:58:41 UTC 2023 , Edited by admin on Sat Dec 16 10:58:41 UTC 2023

PRIMARY

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