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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} | CAS No. 1538-09-6

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}

Basic Information

Chemical_Structure_Of
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CAS Number

1538-09-6

Molecular Formula

C48H56N6O8S2

Molecular Weight

909.14 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

133-136°C

Specific Rotation

D25 +206° (c = 0.105 in formamide)

SMILES

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C(NCc1ccccc1)CNCc1ccccc1.O=C(NC1C(=O)N2C1SC(C2C(=O)O)(C)C)Cc1ccccc1.O=C(NC1C(=O)N2C1SC(C2C(=O)O)(C)C)Cc1ccccc1

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

InChIKey

BVGLIYRKPOITBQ-ANPZCEIESA-N

LogP

4.287600000000007

Topological Polar Surface Area

197.48 Ų

Hydrogen Bond Donor/Acceptor

6 / 14

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Synonyms & References

English

  • Benzathine benzylpenicillin
  • N,N'-Dibenzylethylethylenediamine Bis(benzylpenicillin)
  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid with N,N'-Dibenzylethylenediamine (2:1)
  • Benzathine penicilline G tetrahydrate
  • Benzylpenicillin Benzathine
  • BENZYLPENICILLIN BENZATHINE IMP. B (EP): PHENYLACETIC ACID GUG, CRM STANDARD
  • Penicillin G benzathine salt hydrate
  • benzapen
  • Benzathine Penicillin G
  • bicillin
  • cillenta
  • dibencil
  • leomypen
  • longicil
  • moldamin
  • neolin
  • penadur
  • pendepon
  • penicillin-G benzathine

MDL Number

MFCD00079284

FAQ

What regulatory guidelines apply to 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} (CAS: 1538-09-6)?
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} (CAS: 1538-09-6) is subject to various regulatory guidelines. It may be regulated by the GHS for classification and labeling, REACH for registration and assessment, and by FDA and EPA for handling and disposal. Specific requirements include proper storage, handling, and disposal to prevent environmental contamination and ensure worker safety.

Are there alternatives to 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} (CAS: 1538-09-6) in synthesis?
In the synthesis of 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} (CAS: 1538-09-6), alternative reagents may include simpler diamines or carboxylic acids. However, the choice of alternative reagents depends on the specific reaction conditions and desired product purity. Analogous compounds or isomers may also be considered based on the functional groups and reactivity.

What is the market or research trend for 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} (CAS: 1538-09-6)?
Market trends for 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} (CAS: 1538-09-6) indicate growing interest in novel organic compounds for pharmaceuticals and materials science. Research trends focus on understanding its chemical properties and potential applications in drug discovery and advanced materials. The compound’s unique structure may drive further exploration in these fields.

How should waste containing 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} (CAS: 1538-09-6) be handled?
Waste containing 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} (CAS: 1538-09-6) should be collected in appropriate containers, labeled with the correct waste classification. Proper disposal methods include incineration or professional waste disposal services. Environmental precautions include preventing leakage and ensuring safe transportation to minimize exposure risks and environmental impact.

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Supplier Information

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} — HuBeiMoDe Chemical Co Ltd

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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} — ShangHaiYiJiShengWuKeJiYouXianGongSiXiaoShouBu

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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} — TianMenHengChang Chemical Co Ltd

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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} — HuBeiShiShun Biotechnology Co Ltd

HuBeiShiShun Biotechnology Co Ltd

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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} — Shanghai Titan Shareholding Technology Co., Ltd.

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