FENTIAZAC CALCIUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C17H11ClNO2S.Ca
Molecular Weight	697.663
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of FENTIAZAC CALCIUM

Structure Search

SMILES

[Ca++].[O-]C(=O)CC1=C(N=C(S1)C2=CC=CC=C2)C3=CC=C(Cl)C=C3.[O-]C(=O)CC4=C(N=C(S4)C5=CC=CC=C5)C6=CC=C(Cl)C=C6

InChI

InChIKey=WGCKYSZZBQAHJJ-UHFFFAOYSA-L

InChI=1S/2C17H12ClNO2S.Ca/c2*18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12;/h2*1-9H,10H2,(H,20,21);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C17H11ClNO2S
Molecular Weight	328.793
Charge	-1
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
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 17:30:06 UTC 2023` Edited by `admin` on `Fri Dec 15 17:30:06 UTC 2023`
Record UNII	87K2GQ2Q21
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FENTIAZAC CALCIUM

Common Name

English

Fentiazac calcium [WHO-DD]

Common Name

English

5-THIAZOLEACETIC ACID, 4-(4-CHLOROPHENYL)-2-PHENYL-, CALCIUM SALT (2:1)

Common Name

English

5-THIAZOLEACETIC ACID, 4-(4-CHLOROPHENYL)-2-PHENYL-, CALCIUM SALT

Common Name

English

(4-(4-CHLOROPHENYL)-2-PHENYLTHIAZOL-5-YL)ACETIC ACID, CALCIUM SALT

Common Name

English

Code System Code Type Description

FDA UNII

87K2GQ2Q21

Created by admin on Fri Dec 15 17:30:06 UTC 2023 , Edited by admin on Fri Dec 15 17:30:06 UTC 2023

PRIMARY

ECHA (EC/EINECS)

288-435-4

Created by admin on Fri Dec 15 17:30:06 UTC 2023 , Edited by admin on Fri Dec 15 17:30:06 UTC 2023

PRIMARY

EVMPD

SUB02130MIG

Created by admin on Fri Dec 15 17:30:06 UTC 2023 , Edited by admin on Fri Dec 15 17:30:06 UTC 2023

PRIMARY

PUBCHEM

198620

Created by admin on Fri Dec 15 17:30:06 UTC 2023 , Edited by admin on Fri Dec 15 17:30:06 UTC 2023

PRIMARY

CAS

85721-24-0

Created by admin on Fri Dec 15 17:30:06 UTC 2023 , Edited by admin on Fri Dec 15 17:30:06 UTC 2023

PRIMARY

EPA CompTox

DTXSID80235035

Created by admin on Fri Dec 15 17:30:06 UTC 2023 , Edited by admin on Fri Dec 15 17:30:06 UTC 2023

PRIMARY

SMS_ID

100000086986

Created by admin on Fri Dec 15 17:30:06 UTC 2023 , Edited by admin on Fri Dec 15 17:30:06 UTC 2023

PRIMARY

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ACTIVE MOIETY