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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C16H18N2O5S.Ca.4H2O
Molecular Weight 812.918
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENICILLIN V CALCIUM DIHYDRATE

SMILES

O.O.O.O.[Ca].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COC3=CC=CC=C3)C(O)=O.[H][C@]45SC(C)(C)[C@@H](N4C(=O)[C@H]5NC(=O)COC6=CC=CC=C6)C(O)=O

InChI

InChIKey=OEACLSWOUZNYCA-UCFMYHJDSA-N
InChI=1S/2C16H18N2O5S.Ca.4H2O.2H/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;;;;;;;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);;4*1H2;;/t2*11-,12+,14-;;;;;;;/m11......./s1

HIDE SMILES / InChI
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula Ca
Molecular Weight 40.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C16H18N2O5S
Molecular Weight 350.39
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:50:15 GMT 2023
Edited
by admin
on Sat Dec 16 10:50:15 GMT 2023
Record UNII
JJZ37N4V0X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENICILLIN V CALCIUM DIHYDRATE
Common Name English
CALCIUM BIS((2S-(2.ALPHA.,5.ALPHA.,6.BETA.))3,3-DIMETHYL-7-OXO-6-((PHENOXYACETYL)AMINO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE) DEHYDRATE [WHO-IP]
Common Name English
PHENOXYMETHYLPENICILLIN CALCIUM DIHYDRATE
Common Name English
PHENOXYMETHYLPENICILLINUM CALCICUM [WHO-IP LATIN]
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((PHENOXYACETYL)AMINO)-, CALCIUM SALT (2:1), TETRAHYDRATE, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-
Systematic Name English
PHENOXYMETHYLPENICILLIN CALCIUM [WHO-IP]
Common Name English
Code System Code Type Description
WHO INTERNATIONAL PHARMACOPEIA
PHENOXYMETHYLPENICILLIN CALCIUM DIHYDRATE
Created by admin on Sat Dec 16 10:50:15 GMT 2023 , Edited by admin on Sat Dec 16 10:50:15 GMT 2023
PRIMARY Description: A white, fine crystalline powder; odourless or with a faint characteristic odour. Solubility: Slowly soluble in 120 parts of water. Category: Antibiotic. Storage: Phenoxymethylpenicillin calcium should be kept in a well-closed container. Additional information: Even in the absence of light, Phenoxymethylpenicillin calcium is gradually degraded on exposure to ahumid atmosphere, the decomposition being faster at higher temperatures. Definition: Phenoxymethylpenicillin calcium contains not less than 95.0% and not more than 102.0% of (C16H17N2O5S)2Ca,calculated with reference to the anhydrous substance.
SMS_ID
100000184010
Created by admin on Sat Dec 16 10:50:15 GMT 2023 , Edited by admin on Sat Dec 16 10:50:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID10673007
Created by admin on Sat Dec 16 10:50:15 GMT 2023 , Edited by admin on Sat Dec 16 10:50:15 GMT 2023
PRIMARY
FDA UNII
JJZ37N4V0X
Created by admin on Sat Dec 16 10:50:15 GMT 2023 , Edited by admin on Sat Dec 16 10:50:15 GMT 2023
PRIMARY
PUBCHEM
154572890
Created by admin on Sat Dec 16 10:50:15 GMT 2023 , Edited by admin on Sat Dec 16 10:50:15 GMT 2023
PRIMARY
CAS
73368-74-8
Created by admin on Sat Dec 16 10:50:15 GMT 2023 , Edited by admin on Sat Dec 16 10:50:15 GMT 2023
PRIMARY
Related Record Type Details
Structure of PENICILLIN V CALCIUM
ANHYDROUS->SOLVATE
NIH
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