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Substance Name: Safracin A
RN: 87578-98-1
UNII: 22W88942A5
InChIKey: AZDDAJXLYMVMAW-BVFBRMCBSA-N

Note

  • From Pseudomonas sp.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C28-H36-N4-O6

Molecular Weight

  • 524.614
 
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Names and Synonyms

Name of Substance

  • Safracin A

Synonyms

  • Safracin A
  • UNII-22W88942A5
  • Y-16482-B''
  • Y-16760

Systematic Name

  • Propanamide, 2-amino-N-((6,7,9,10,13,14,14a,15-octahydro-1-hydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 87578-98-1

FDA UNII

  • 22W88942A5

System Generated Number

  • 0087578981

Structure Descriptors

InChI

1S/C28H36N4O6/c1-12-7-15-8-16-11-32-18(22(31(16)4)20(15)24(34)26(12)37-5)9-17-21(19(32)10-30-28(36)14(3)29)25(35)27(38-6)13(2)23(17)33/h7,14,16,18-19,22,34H,8-11,29H2,1-6H3,(H,30,36)/t14-,16+,18-,19-,22+/m0/s1

InChIKey

AZDDAJXLYMVMAW-BVFBRMCBSA-N

Smiles

c1(O)c(c(C)cc2c1[C@H]1[N@@]([C@H](C[N@@]3[C@@H](CNC([C@H](C)N)=O)C=4C(C(=C(C)C(C4C[C@@H]13)=O)OC)=O)C2)C)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70700ug/kg (70.7mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #83-113192,
mouse LD50 oral 445mg/kg (445mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #83-113192,