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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H20N2.2C16H18N2O4S
Molecular Weight 909.124
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENICILLIN G BENZATHINE ANHYDROUS

SMILES

C(CNCC1=CC=CC=C1)NCC2=CC=CC=C2.[H][C@]34SC(C)(C)[C@@H](N3C(=O)[C@H]4NC(=O)CC5=CC=CC=C5)C(O)=O.[H][C@]67SC(C)(C)[C@@H](N6C(=O)[C@H]7NC(=O)CC8=CC=CC=C8)C(O)=O

InChI

InChIKey=BVGLIYRKPOITBQ-ANPZCEIESA-N
InChI=1S/2C16H18N2O4S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;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 C16H18N2O4S
Molecular Weight 334.39
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED
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

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:27:48 UTC 2023
Edited
by admin
on Fri Dec 15 18:27:48 UTC 2023
Record UNII
SSZ1S4I0US
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENICILLIN G BENZATHINE ANHYDROUS
Common Name English
LENTOCILLIN
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3- DIMETHYL-7-OXO-6-((PHENYLACETYL)AMINO)- (2S,5R,6R)-, COMPD. WITH N,N'-BIS(PHENYLMETHYL)-1,2-ETHANEDIAMINE (2:1)
Common Name English
BENZILPENICILLINA BENZATINICA
Common Name English
VICIN
Common Name English
BENZATHINE BENZYLPENICILLIN [WHO-IP]
Common Name English
Benzathine benzylpenicillin [WHO-DD]
Common Name English
BENZATHINE BENZYLPENICILLIN ANHYDROUS
Common Name English
DEBECILLIN
Common Name English
PENDITAN
Common Name English
WYCILLINA
Common Name English
LEOMYPEN
Common Name English
BENZATHINI BENZYLPENICILLINUM [WHO-IP LATIN]
Common Name English
BENZATHINI BENZYLPENICILLINUM
WHO-IP LATIN  
Common Name English
PENADUR
Common Name English
PEN-DI-BEN
Common Name English
NEOLIN
Common Name English
BICA-PENICILLIN
Common Name English
(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENYLACETAMIDO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID COMPOUND WITH N,N'-DIBENZYLETHYLENEDIAMINE (2:1)
Common Name English
benzathine benzylpenicillin [INN]
Common Name English
PENDEPON
Common Name English
LONGACILINA
Common Name English
BENZETHACIL
Common Name English
LONGICIL
Common Name English
BENZATHIN PENICILLIN G
Common Name English
BENZAPEN
Common Name English
BENZATHINE BENZYLPENICILLINE
Common Name English
MOLDAMIN
Common Name English
PENICILLIN G BENZATHINE ANHYDROUS [MI]
Common Name English
DUROPENIN
Common Name English
PENIDURE
Common Name English
BENZATINA BENCILPENICILINA
Common Name English
BENZACILLIN
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3- DIMETHYL-7-OXO-6- (2-PHENYLACETAMIDO)-, COMPD. WITH N,N'- DIBENZYLETHYLENEDIAMINE (2:1)
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3- DIMETHYL-7-OXO-6-((2-PHENYLACETYL)AMINO)- (2S,5R,6R)-, COMPD. WITH N1,N2-BIS(PHENYLMETHYL)-1,2-ETHANEDIAMINE (2:1)
Common Name English
ETHYLENEDIAMINE, N,N'-DIBENZYL-, BIS(3,3-DIMETHYL-7-OXO-6- (2-PHENYLACETAMIDO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2- CARBOXYLATE)
Common Name English
CILLENTA
Common Name English
Classification Tree Code System Code
WHO-ATC J01CE08
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID2047804
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
ECHA (EC/EINECS)
216-260-5
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
MERCK INDEX
m8475
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
FDA UNII
SSZ1S4I0US
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
PENICILLIN G BENZATHINE ANHYDROUS
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY Description: A white powder; odourless or almost odourless. Solubility: Very slightly soluble in water; sparingly soluble in ethanol (~750 g/l) TS; practically insoluble in ether R. Category: Antibacterial drug. Storage: Benzathine benzylpenicillin should be kept in a tightly closed container, protected from light, and stored at a temperaturenot exceeding 30 ?C. Labelling: The designation sterile Benzathine benzylpenicillin indicates that the substance complies with the additionalrequirements for sterile Benzathine benzylpenicillin and may be used for parenteral administration or for other sterile applications. Additional information: Benzathine benzylpenicillin contains a variable amount of water of crystallization. Definition: Benzathine benzylpenicillin contains not less than 96.0% and not more than 100.5% of total penicillins calculated as (C16H18N2O4S)2,C16H20N2, and not less than 24.0% and not more than 27.0% of C16H20N2, both calculated with reference to the anhydrous substance.
NCI_THESAURUS
C169806
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
CAS
1538-09-6
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
INN
203
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
PUBCHEM
15232
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
CHEBI
51352
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
DRUG BANK
DB09323
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
EVMPD
SUB05741MIG
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
SMS_ID
100000090509
Created by admin on Fri Dec 15 18:27:48 UTC 2023 , Edited by admin on Fri Dec 15 18:27:48 UTC 2023
PRIMARY
Related Record Type Details
Structure of PENICILLIN G
PARENT -> SALT/SOLVATE
Structure of PENICILLIN G BENZATHINE MONOHYDRATE
SOLVATE->ANHYDROUS
Structure of PENICILLIN G BENZATHINE
SOLVATE->ANHYDROUS
Related Record Type Details
Structure of PENICILLIN G
ACTIVE MOIETY
http://apps.who.int/phint/pdf/b/Jb.6.1.46.pdf
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