5-METHYL-3-(2-THIENYL)-4-ISOXAZOLYL PENICILLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H17N3O5S2
Molecular Weight	407.464
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-METHYL-3-(2-THIENYL)-4-ISOXAZOLYL PENICILLIN

Structure Search

SMILES

CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C4=CC=CS4

InChI

InChIKey=HJGABMAZKOQINI-TYNCELHUSA-N

InChI=1S/C17H17N3O5S2/c1-7-9(10(19-25-7)8-5-4-6-26-8)13(21)18-11-14(22)20-12(16(23)24)17(2,3)27-15(11)20/h4-6,11-12,15H,1-3H3,(H,18,21)(H,23,24)/t11-,12+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C17H17N3O5S2
Molecular Weight	407.464
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 `Tue Apr 01 23:34:50 GMT 2025` Edited by `admin` on `Tue Apr 01 23:34:50 GMT 2025`
Record UNII	8T55JCQ589
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(2S,5R,6R)-3,3-DIMETHYL-6-(((5-METHYL-3-(2-THIENYL)-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID

Preferred Name

English

5-METHYL-3-(2-THIENYL)-4-ISOXAZOLYL PENICILLIN

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(((5-METHYL-3-(2-THIENYL)-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(((5-METHYL-3-(2-THIENYL)-4-ISOXAZOLYL)CARBONYL)AMINO)-7-OXO-, (2S,5R,6R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

8T55JCQ589

Created by admin on Tue Apr 01 23:34:50 GMT 2025 , Edited by admin on Tue Apr 01 23:34:50 GMT 2025

PRIMARY

CAS

757124-47-3

Created by admin on Tue Apr 01 23:34:50 GMT 2025 , Edited by admin on Tue Apr 01 23:34:50 GMT 2025

PRIMARY

PUBCHEM

133082855

Created by admin on Tue Apr 01 23:34:50 GMT 2025 , Edited by admin on Tue Apr 01 23:34:50 GMT 2025

PRIMARY

Related Record Type Details


					6Q6ME25F1P

SODIUM 5-METHYL-3-(2-THIENYL)-4-ISOXAZOLYL PENICILLIN MONOHYDRATE

SALT/SOLVATE -> PARENT

Amount: