2-(3-PHENYLPYRAZINYL)PENICILLIN SODIUM MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H17N4O4S.Na.H2O
Molecular Weight	438.433
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(3-PHENYLPYRAZINYL)PENICILLIN SODIUM MONOHYDRATE

Structure Search

SMILES

O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=NC=CN=C3C4=CC=CC=C4)C([O-])=O

InChI

InChIKey=SBKCIXYJTZYYPK-VICXVTCVSA-M

InChI=1S/C19H18N4O4S.Na.H2O/c1-19(2)14(18(26)27)23-16(25)13(17(23)28-19)22-15(24)12-11(20-8-9-21-12)10-6-4-3-5-7-10;;/h3-9,13-14,17H,1-2H3,(H,22,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C19H18N4O4S
Molecular Weight	398.436
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 14:24:44 GMT 2023` Edited by `admin` on `Sat Dec 16 14:24:44 GMT 2023`
Record UNII	DL1F0OCP25
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(3-PHENYLPYRAZINYL)PENICILLIN SODIUM MONOHYDRATE

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-(3-PHENYLPYRAZINECARBOXAMIDO)-, MONOSODIUM SALT, MONOHYDRATE

Systematic Name

English

2-(3-PHENYLPYRAZINYL)PENICILLIN MONOHYDRATE, SODIUM

Common Name

English

Code System Code Type Description

FDA UNII

DL1F0OCP25

Created by admin on Sat Dec 16 14:24:44 GMT 2023 , Edited by admin on Sat Dec 16 14:24:44 GMT 2023

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CAS

23255-08-5

Created by admin on Sat Dec 16 14:24:44 GMT 2023 , Edited by admin on Sat Dec 16 14:24:44 GMT 2023

PRIMARY

PUBCHEM

133083037

Created by admin on Sat Dec 16 14:24:44 GMT 2023 , Edited by admin on Sat Dec 16 14:24:44 GMT 2023

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2-(3-PHENYLPYRAZINYL)PENICILLIN

PARENT -> SALT/SOLVATE