PENICILLANIC ACID

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C8H11NO3S
Molecular Weight	201.243
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENICILLANIC ACID

Structure Search

SMILES

[H][C@@]12CC(=O)N1[C@@H](C(O)=O)C(C)(C)S2

InChI

InChIKey=RBKMMJSQKNKNEV-RITPCOANSA-N

InChI=1S/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C8H11NO3S
Molecular Weight	201.243
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:18:27 UTC 2023` Edited by `admin` on `Sat Dec 16 08:18:27 UTC 2023`
Record UNII	PIS09H0QIX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENICILLANIC ACID

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-

Systematic Name

English

PENICILLANIC ACID [MI]

Common Name

English

(2S-CIS)-3,3-DIMETHYL-7-OXO-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-, (2S,5R)-

Systematic Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3- DIMETHYL-7-OXO-, (2S-CIS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

6891

Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023

PRIMARY

EPA CompTox

DTXSID90236038

Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023

PRIMARY

FDA UNII

PIS09H0QIX

Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023

PRIMARY

CAS

87-53-6

Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023

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ECHA (EC/EINECS)

201-750-3

Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023

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MERCK INDEX

m8470

Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023

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Merck Index

CHEBI

37806

Created by admin on Sat Dec 16 08:18:27 UTC 2023 , Edited by admin on Sat Dec 16 08:18:27 UTC 2023

PRIMARY

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