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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20N2.2C16H18N2O5S
Molecular Weight 941.122
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENICILLIN V BENZATHINE

SMILES

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

InChI

InChIKey=BBTOYUUSUQNIIY-ANPZCEIESA-N
InChI=1S/2C16H18N2O5S.C16H20N2/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/t2*11-,12+,14-;/m11./s1

HIDE SMILES / InChI

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 Fri Dec 15 18:37:57 UTC 2023
Edited
by admin
on Fri Dec 15 18:37:57 UTC 2023
Record UNII
3T4EMH59ZU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENICILLIN V BENZATHINE
USAN   USP  
USAN  
Official Name English
BENZATHINE PHENOXYMETHYLPENICILLIN
MART.  
Common Name English
BENZATHINE PHENOXYMETHYLPENICILLIN [MART.]
Common Name English
(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID COMPOUND WITH N,N'-DIBENZYLETHYLENEDIAMINE (2:1)
Common Name English
BENZATHINE PENICILLIN V
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((2-PHENOXYACETYL)AMINO)-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-, COMPD. WITH N,N'-BIS(PHENYLMETHYL)-1,2-ETHANEDIAMINE (2:1)
Common Name English
BENZATHINE PHENOXYMETHYL PENICILLIN
Common Name English
PENICILLIN V BENZATHINE [USP IMPURITY]
Common Name English
PENICILLIN V BENZATHINE [USAN]
Common Name English
PENICILLIN V COMPD WITH DIBENZYLETHYLENEDIAMINE
MI  
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 (2:1)
Common Name English
Phenoxymethylpenicillin benzathine [WHO-DD]
Common Name English
PHENOXYMETHYLPENICILLIN BENZATHINE
JAN   WHO-DD  
Common Name English
PENICILLIN V COMPD WITH DIBENZYLETHYLENEDIAMINE [MI]
Common Name English
Classification Tree Code System Code
WHO-ATC J01CE10
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
WHO-VATC QJ01CE10
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
Code System Code Type Description
DRUG CENTRAL
4440
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
ECHA (EC/EINECS)
227-667-2
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
CHEBI
31973
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
ChEMBL
CHEMBL615
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
MESH
C015707
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
FDA UNII
3T4EMH59ZU
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
WIKIPEDIA
Benzathine phenoxymethylpenicillin
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
DRUG BANK
DBSALT001952
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
RXCUI
18926
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY RxNorm
EPA CompTox
DTXSID80207999
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
NCI_THESAURUS
C166695
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
PUBCHEM
64725
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
EVMPD
SUB03763MIG
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
SMS_ID
100000085294
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
CAS
5928-84-7
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY
MERCK INDEX
m8479
Created by admin on Fri Dec 15 18:37:57 UTC 2023 , Edited by admin on Fri Dec 15 18:37:57 UTC 2023
PRIMARY Merck Index
Related Record Type Details
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PARENT -> SALT/SOLVATE