PYRIMIDINE PENICILLIN G

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18N2O4S.C4H4N2
Molecular Weight	414.478
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C1=CN=CN=C1.[H][C@]23SC(C)(C)[C@@H](N2C(=O)[C@H]3NC(=O)CC4=CC=CC=C4)C(O)=O

InChI

InChIKey=ZMZWDDSEAIEIPT-LQDWTQKMSA-N

InChI=1S/C16H18N2O4S.C4H4N2/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-2-5-4-6-3-1/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-4H/t11-,12+,14-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C4H4N2
Molecular Weight	80.088
Charge	0
Count

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

Molecular Formula	C16H18N2O4S
Molecular Weight	334.39
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:52:18 UTC 2023` Edited by `admin` on `Sat Dec 16 11:52:18 UTC 2023`
Record UNII	46917D13T1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYRIMIDINE PENICILLIN G

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((PHENYLACETYL)AMINO)-(2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-, COMPD. WITH PYRIMIDINE

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((PHENYLACETYL)AMINO)- (2S,5R,6R)-, COMPD. WITH PYRIMIDINE

Systematic Name

English

PYRIMIDINE, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-3,3-DIMETHYL-7-OXO-6-((PHENYLACETYL)AMINO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE

Common Name

English

PYRIMIDINE, (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-((PHENYLACETYL)AMINO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE

Systematic Name

English

Benzylpenicillin aminomethomidine [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

6453811

Created by admin on Sat Dec 16 11:52:18 UTC 2023 , Edited by admin on Sat Dec 16 11:52:18 UTC 2023

PRIMARY

EPA CompTox

DTXSID80208143

Created by admin on Sat Dec 16 11:52:18 UTC 2023 , Edited by admin on Sat Dec 16 11:52:18 UTC 2023

PRIMARY

CAS

59413-33-1

Created by admin on Sat Dec 16 11:52:18 UTC 2023 , Edited by admin on Sat Dec 16 11:52:18 UTC 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

46917D13T1

Created by admin on Sat Dec 16 11:52:18 UTC 2023 , Edited by admin on Sat Dec 16 11:52:18 UTC 2023

PRIMARY

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