PENETHAMATE

US Previously Marketed

First approved in 1952

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H31N3O4S
Molecular Weight	433.564
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)CCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)CC3=CC=CC=C3)C2=O

InChI

InChIKey=AFKRZUUZFWTBCC-WSTZPKSXSA-N

InChI=1S/C22H31N3O4S/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26)/t17-,18+,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H31N3O4S
Molecular Weight	433.564
Charge	0
Count

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

Approval Year

Sourcing

Vendor/Aggregator	ID	URL
ABI Chem	AC1L2GTG
Alfa Chemistry	ACM3689734	https://www.alfa-chemistry.com/penethamate-cas-3689-73-4-item-284843.htm
BOC Sciences	3689-73-4
BOC Sciences	808-71-9
Chemieliva Pharmaceutical Co., Ltd	PBCM0530465
ChemMol	99085195	http://www.chemmol.com/chemmol/99085195.html
Compound Cloud	46174099
Compound Cloud	71797
eMolecules	106284739
eMolecules	300956653
eMolecules	46301407
eMolecules	48876238
eNovation Chemicals	D548382
Hairui	HR117592
Hangzhou Yuhao Chemical Technology	RT18841
KeyOrganics	ES-2025
MolPort	MolPort-046-693-174
MuseChem	R042098
NovoSeek	71797
ShangHai Biochempartner	BCP08288
THE BioTek	bt-291027	https://www.thebiotek.com/product/others/bt-291027
Toronto Research Chemicals	B288590
Toronto Research Chemicals	C373655
ZINC	ZINC000004217251	http://zinc15.docking.org/substances/ZINC000004217251

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:37:10 GMT 2025` Edited by `admin` on `Mon Mar 31 18:37:10 GMT 2025`
Record UNII	7Y8RF01X2J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENETHAMATE

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.))-, 2-(DIETHYLAMINO)ETHYL ESTER

Preferred Name

English

EPHICILLIN

Common Name

English

PENICILLIN G, 2-(DIETHYLAMINO)ETHYL ESTER

Common Name

English

Penethamate [WHO-DD]

Common Name

English

Classification Tree Code System Code

WHO-VATC

QJ51RC25