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Substance Name: Amipurimycin, hydrate
ID: BN56000000
InChIKey: RUJPBYJDFWRCTC-VXNICEPASA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C30-H20-N7-O8.H2-O

Molecular Weight

  • 513.5049
 
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Names and Synonyms

Synonym

  • T-36496

Systematic Name

  • Amipurimycin, hydrate

Registry Numbers

ID Number

  • NIOSH/BN5600000

System Generated Number

  • BN56000000

Molecular Formulas

Molecular Formula

  • C30-H20-N7-O8.H2-O

Molecular Formula Fragments

  • C30-H20-N7-O8
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H29N7O8.H2O/c21-9-3-1-2-8(9)16(31)25-13(18(32)33)11-4-20(34,12(29)6-28)14(30)17(35-11)27-7-24-10-5-23-19(22)26-15(10)27;/h5,7-9,11-14,17,28-30,34H,1-4,6,21H2,(H,25,31)(H,32,33)(H2,22,23,26);1H2/t8-,9+,11-,12?,13?,14-,17+,20+;/m0./s1

InChIKey

RUJPBYJDFWRCTC-VXNICEPASA-N

Smiles

O.N[C@@H]1CCC[C@@H]1C(=O)NC([C@@H]2C[C@@](O)(C(O)CO)[C@@H](O)[C@@H](O2)n3cnc4cnc(N)nc34)C(=O)O