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benzathine benzylpenicillin

Molecular FormulaC₄₈H₅₆N₆O₈S₂
Average mass909.124 Da
Monoisotopic mass908.360107 Da
ChemSpider ID14498

More details:

Systematic name
N,N'-Dibenzyl-1,2-ethanediaminium bis{(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate}
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C.c1ccc(cc1)C[NH2+]CC[NH2+]Cc2ccccc2
Std. InChi
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
Std. InChIKey
BVGLIYRKPOITBQ-ANPZCEIESA-N
Cite this record
CSID:14498, http://www.chemspider.com/Chemical-Structure.14498.html (accessed 00:59, Apr 19, 2024)

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Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid - N,N'-dibenzylethane-1,2-diamine (2:1)

[2S-(2a,5a,6b)]-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid compd with N,N'-bis(phenylmethyl)-1,2-ethanediamine (2:1)

1538-09-6 [RN]

216-260-5 [EINECS]

41372-02-5 [RN]

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) [ACD/Index Name]

benzathine benzylpenicillin [INN] [Wiki]

benzathine benzylpenicilline [French] [INN]

Benzathine penicilline

benzathini benzylpenicillinum [Latin]

More...

benzatina bencilpenicilina [Spanish] [INN]

benzyl[2-(benzylazaniumyl)ethyl]azanium bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate)

Bis{(2S,5R,6R)-3,3-diméthyl-7-oxo-6-[(2-phénylacétyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate} de N,N'-dibenzyl-1,2-éthanediaminium [French] [ACD/IUPAC Name]

DBED-penicillin

Megacillin

MFCD00079284

N,N'-Dibenzyl-1,2-ethandiaminiumbis{(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-2-carboxylat} [German] [ACD/IUPAC Name]

N,N'-Dibenzyl-1,2-ethanediaminium bis{(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate} [ACD/IUPAC Name]

N,N'-Dibenzylethylenedi amine bis[benzylpenicillin]

Penicillin G N,N'-dibenzylethylenediamine salt

SSZ1S4I0US

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid12705-12-3

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidbenzyl-[2-(benzylamino)ethyl]amine

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidN,N'-dibenzylethane-1,2-diamine

(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid -N,N'-dibenzyl-1,2-ethanediamine

(2S,5R,6R)-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2S,5R,6R)-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidN,N'-bis(phenylmethyl)ethane-1,2-diamine

(α-carboxycyclopropyl)glycine

[1538-09-6] [RN]

[41372-02-5] [RN]

1,2-Ethanediamine, N,N'-bis(phenylmethyl)-, bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate)

22255-17-0 [RN]

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)

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)

7281-04-1 [RN]

ampicillin N,N'-dibenzylethylenediamine salt

Beacillin

Benzacillin

Benzapen

Benzathin penicillin G

Benzathine [Wiki]

benzathine benzylpenicilline

benzathine benzylpénicilline

Benzathine benzylpenicilline [INN-French]

benzathine penicillin

Benzathine penicillin G

Benzathine penicillin; Benzylpenicillin benzathine

Benzathine penicillin; Benzylpenicillin benzathine; Penicillin G benzathine

Benzathine penicilline G

benzathine(2+); bis(benzylpenicillin(1-))

benzathini benzylpenicillinum

Benzathini benzylpenicillinum [INN-Latin]

benzatina bencilpenicilina

Benzatina bencilpenicilina [INN-Spanish]

Benzethacil

Benzilpenicillina benzatinica [DCIT]

benzylpenicillin benzathine

benzylpenicillin dibenzylethylenediamine salt

BENZYLPENICILLINBENZATHINESALT

Benzylpenicillinum benzathinicum

Benzylpenicillinum benzathinum

Bica-penicillin

BICILLIN [Wiki]

Bicillin 1

Bicillin I

Bicillin L-A [Trade name]

bis((2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid); benzyl[2-(benzylamino)ethyl]amine

BIS(PENICILLIN G)

Cepacilina

Cillenta

Debecillin

Debecylina

Diamine penicillin

Diaminocillina

Dibencil

Dibencillin

Dibenzylethylenediamine-di-penicillin G

Durabiotic

Dura-penita

Duropenin

EINECS 216-260-5

Ethylenediamine, N,N'-dibenzyl-, bis(3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate)

Ethylenediamine, N,N'-dibenzyl-, compd. with penicillin G (1:2)

Extencilline

Extenicilline

Lentocillin

Lentopenil

Leomypen

Longacilina

Longicil

Megacillin suspension

Moldamin

N,N'-dibenzylethane-1,2-diamine

N,N'-dibenzylethane-1,2-diamine; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

N,N'-dibenzylethane-1,2-diamine;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

N,N'-dibenzylethane-1,2-diaminium bis{(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate}

N,N'-dibenzylethane-1,2-diaminium bis{2,2-dimethyl-6β-(phenylacetamido)penam-3α-carboxylate}

N,N'-dibenzylethylenediamine bis(benzyl penicillin)

N,N'-Dibenzylethylenediamine salt of benzylpenicillin

N,N'-Dibenzylethylenediamine, compounded with penicillin G (1:2)

Neolin [Wiki]

Penadur

Penadur L-A

Pendepon

Pen-Di-Ben

Penditan

Penduran

PENICILLIN G BENZATHINE [USP]

penicillin G benzathine anhydrous

Penicillin G benzathine anhydrous [USAN] [USAN]

Penicillin G benzathine salt

penicillin G salt of N,N'-dibenzylethylenediamine

Penicillin G, benzathine

Penicillin G, compd. with N,N'-dibenzylethylenediamine (2:1)

penicillin-G benzathine

Penidural

Penidure

Permapen [Wiki]

Tardocillin

UNII:SSZ1S4I0US

UNII-SSZ1S4I0US

Vicin

Wycillina

бензатина бензилпенициллин [Russian]

بينزاثين بنزيلبنيسيلين [Arabic]

苄星青霉素 [Chinese]

Less...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

203 [DBID]

CCRIS 937 [DBID]

NCI-C56100 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Miscellaneous

A benzathine(2+) salt in which the counter anions are benzylpenicillin(1-). Drug-of-choice when prolonged low concentrations of benzylpenicillin are required and appropriate. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51352, CHEBI:51352

A benzathine(2+) salt in which the counter anions are benzylpenicillin(1<minus/>). Drug-of-choice when prolonged low concentrations of benzylpenicillin are required and appropriate. ChEBI CHEBI:51352

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
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