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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20N2.2C16H18N2O5S.4H2O
Molecular Weight 1013.184
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENICILLIN V BENZATHINE TETRAHYDRATE

SMILES

O.O.O.O.C(CNCC1=CC=CC=C1)NCC2=CC=CC=C2.[H][C@]34SC(C)(C)[C@@H](N3C(=O)[C@H]4NC(=O)COC5=CC=CC=C5)C(O)=O.[H][C@]67SC(C)(C)[C@@H](N6C(=O)[C@H]7NC(=O)COC8=CC=CC=C8)C(O)=O

InChI

InChIKey=WGLORUYLLMHSJU-CJHXQPGBSA-N
InChI=1S/2C16H18N2O5S.C16H20N2.4H2O/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;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;;;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;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 C16H20N2
Molecular Weight 240.3434
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

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:32:00 UTC 2023
Edited
by admin
on Sat Dec 16 08:32:00 UTC 2023
Record UNII
44MHH77OIC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENICILLIN V BENZATHINE TETRAHYDRATE
Common Name English
BENZATHINE PHENOXYMETHYLPENICILLIN TETRAHYDRATE
Common Name English
PHENOXYMETHYLPENICILLINE BENZATHINE TETRAHYDRATE
Common Name English
HYDROUS PHENOXYMETHYLPENICILLIN BENZATHINE
Common Name English
N<sup>1</sup>,N<sup>2</sup>-Dibenzylethane-1,2-diamine bis[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate] tetrahydrate
Common Name English
PHENOXYMETHYLPENICILLIN (BENZATHINE) TETRAHYDRATE [EP MONOGRAPH]
Common Name English
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-, (2S,5R,6R)-, compd. with N1,N2-bis(phenylmethyl)-1,2-ethanediamine, hydrate (2:1:4)
Systematic Name English
PHENOXYMETHYLPENICILLIN BENZATHINE [JAN]
Common Name English
PHENOXYMETHYLPENICILLIN (BENZATHINE) TETRAHYDRATE
Common Name English
Code System Code Type Description
FDA UNII
44MHH77OIC
Created by admin on Sat Dec 16 08:32:01 UTC 2023 , Edited by admin on Sat Dec 16 08:32:01 UTC 2023
PRIMARY
CAS
2113728-41-7
Created by admin on Sat Dec 16 08:32:01 UTC 2023 , Edited by admin on Sat Dec 16 08:32:01 UTC 2023
PRIMARY
PUBCHEM
11954248
Created by admin on Sat Dec 16 08:32:01 UTC 2023 , Edited by admin on Sat Dec 16 08:32:01 UTC 2023
PRIMARY
EPA CompTox
DTXSID20474643
Created by admin on Sat Dec 16 08:32:01 UTC 2023 , Edited by admin on Sat Dec 16 08:32:01 UTC 2023
PRIMARY
CAS
63690-57-3
Created by admin on Sat Dec 16 08:32:01 UTC 2023 , Edited by admin on Sat Dec 16 08:32:01 UTC 2023
ALTERNATIVE
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY