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Substance Name: E-1010 trihydrate
RN: 312774-19-9
UNII: PJ3976Y0WR
InChIKey: TZFGNKLFAWQNPV-DGCZJTPESA-N

Molecular Formula

  • C19-H29-N3-O5-S.Cl-H.3H2-O

Molecular Weight

  • 502.0254
 
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Names and Synonyms

Name of Substance

  • E-1010 trihydrate

Synonyms

  • (+)-E-1010 Trihydrate
  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 6-((1R)-1-hydroxyethyl)-3-(((3S,5S)-5-((R)-hydroxy(3R)-3-pyrrolidinylmethyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-, hydrochloride, hydrate (1:1:3), (4R,5S,6S)-
  • E-1010 trihydrate
  • UNII-PJ3976Y0WR

Registry Numbers

CAS Registry Number

  • 312774-19-9

FDA UNII

  • PJ3976Y0WR

System Generated Number

  • 0312774199

Structure Descriptors

InChI

1S/C19H29N3O5S.ClH.3H2O/c1-8-14-13(9(2)23)18(25)22(14)15(19(26)27)17(8)28-11-5-12(21-7-11)16(24)10-3-4-20-6-10;;;;/h8-14,16,20-21,23-24H,3-7H2,1-2H3,(H,26,27);1H;3*1H2/t8-,9-,10-,11+,12+,13-,14-,16-;;;;/m1..../s1

InChIKey

TZFGNKLFAWQNPV-DGCZJTPESA-N

Smiles

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)[C@@H]([C@@H]4CCNC4)O)C(=O)O)[C@@H](C)O.O.O.O.Cl