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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C16H17N2O5S.Ca
Molecular Weight 738.841
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENICILLIN V CALCIUM

SMILES

[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=NPTZOUGIOYWQFI-ANPZCEIESA-L
InChI=1S/2C16H18N2O5S.Ca/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);/q;;+2/p-2/t2*11-,12+,14-;/m11./s1

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H17N2O5S
Molecular Weight 349.382
Charge -1
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 Fri Dec 15 18:37:56 UTC 2023
Edited
by admin
on Fri Dec 15 18:37:56 UTC 2023
Record UNII
3750YH4NM7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENICILLIN V CALCIUM
Common Name English
PENICILLIN V CALCIUM SALT [MI]
Common Name English
PHENOXYMETHYLPENICILLIN CALCIUM
MART.   WHO-DD  
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), (2S,5R,6R)-
Common Name English
PHENOXYMETHYLPENICILLIN CALCIUM [MART.]
Common Name English
PENICILLIN V CALCIUM SALT
MI  
Common Name English
Phenoxymethylpenicillin calcium [WHO-DD]
Common Name English
Code System Code Type Description
SMS_ID
100000085276
Created by admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
PRIMARY
CAS
147-48-8
Created by admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
PRIMARY
MERCK INDEX
m8479
Created by admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
PRIMARY Merck Index
PUBCHEM
164549
Created by admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
PRIMARY
ECHA (EC/EINECS)
205-689-3
Created by admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
PRIMARY
EVMPD
SUB03764MIG
Created by admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
PRIMARY
FDA UNII
3750YH4NM7
Created by admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID00932998
Created by admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
PRIMARY
RXCUI
236517
Created by admin on Fri Dec 15 18:37:56 UTC 2023 , Edited by admin on Fri Dec 15 18:37:56 UTC 2023
PRIMARY RxNorm
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY