OXACILLIN BENZATHINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C19H19N3O5S.C16H20N2
Molecular Weight	1043.216
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C(CNCC1=CC=CC=C1)NCC2=CC=CC=C2.[H][C@]34SC(C)(C)[C@@H](N3C(=O)[C@H]4NC(=O)C5=C(C)ON=C5C6=CC=CC=C6)C(O)=O.[H][C@]78SC(C)(C)[C@@H](N7C(=O)[C@H]8NC(=O)C9=C(C)ON=C9C%10=CC=CC=C%10)C(O)=O

InChI

InChIKey=YAYWMARUVKROAQ-VZHMHXRYSA-N

InChI=1S/2C19H19N3O5S.C16H20N2/c2*1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);1-10,17-18H,11-14H2/t2*13-,14+,17-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C19H19N3O5S
Molecular Weight	401.436
Charge	0
Count

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

Molecular Formula	C16H20N2
Molecular Weight	240.3434
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 09:32:37 UTC 2023` Edited by `admin` on `Sat Dec 16 09:32:37 UTC 2023`
Record UNII	FUQ24YT1C9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OXACILLIN BENZATHINE

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXAMIDO)-7-OXO-, COMPD. WITH N,N'-DIBENZYLETHYLENEDIAMINE (2:1)

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(((5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-, COMPD. WITH N,N'-BIS(PHENYLMETHYL)-1,2-ETHANEDIAMINE (2:1)

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(((5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-, (2S,5R,6R)-, COMPD. WITH N,N'-BIS(PHENYLMETHYL)-1,2-ETHANEDIAMINE (2:1)

Systematic Name

English

ETHYLENEDIAMINE, N,N'-DIBENZYL-, BIS(3,3-DIMETHYL-6-(5-METHYL-3-PHENYL-4-ISOXAZOLECARBOXAMIDO)-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE)

Common Name

English

1,2-ETHANEDIAMINE, N,N'-BIS(PHENYLMETHYL)-, BIS((2S,5R,6R)-3,3-DIMETHYL-6-(((5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE)

Common Name

English

1,2-ETHANEDIAMINE, N,N'-BIS(PHENYLMETHYL)-, BIS((2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-3,3-DIMETHYL-6-(((5-METHYL-3-PHENYL-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE)

Common Name

English

Code System Code Type Description

PUBCHEM

13175187