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Substance Name: BO 2727
RN: 149882-71-3
UNII: N0450C4END
InChIKey: LXENODIMLBPDAW-LSIHVOJYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N3-O5-S.Cl-H.H2-O

Molecular Weight

  • 435.97
 
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Names and Synonyms

Name of Substance

  • BO 2727

Synonyms

  • BO-2727
  • L 739428
  • UNII-N0450C4END

Systematic Names

  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-((5-(1-hydroxy-3-(methylamino)propyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-, hydrochloride, hydrate (1:1:1), (4R-(3(3S*,5S*(R*)),4-alpha,5-beta,6-beta-(R*)))-
  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-3-((5-(1-hydroxy-3-(methylamino)propyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-, monohydrochloride, (4R-(3(3S*,5S*(R*)),4alpha,5beta,6beta(R*)))-

Registry Numbers

CAS Registry Number

  • 149882-71-3

FDA UNII

  • N0450C4END

System Generated Number

  • 0149882713

Molecular Formulas

Molecular Formula

  • C18-H29-N3-O5-S.Cl-H.H2-O

Molecular Formula Fragments

  • C18-H29-N3-O5-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H29N3O5S.ClH/c1-8-14-13(9(2)22)17(24)21(14)15(18(25)26)16(8)27-10-6-11(20-7-10)12(23)4-5-19-3;/h8-14,19-20,22-23H,4-7H2,1-3H3,(H,25,26);1H/t8-,9?,10+,11-,12-,13+,14-;/m1./s1

InChIKey

LXENODIMLBPDAW-LSIHVOJYSA-N

Smiles

N12C([C@H]([C@H]1[C@H](C(S[C@@H]1CN[C@H](C1)[C@@H](CCNC)O)=C2C(=O)O)C)[C@@H](C)O)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2700mg/kg (2700mg/kg)   Journal of Antibiotics. Vol. 50, Pg. 598, 1997.