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Substance Name: Scopafungin [USAN]
RN: 11056-18-1
UNII: LOE3K7R62G
InChIKey: RSODTZFJSFMTPQ-NBURPXERSA-N

Note

  • Crystalline nonpolyenic antimicrobial agent from culture broth of Streptomyces hygroscopicus.

Molecular Formula

  • C59-H103-N3-O18

Molecular Weight

  • 1142.4657
 

Classification Codes

  • Antibacterial
  • Antifungal
  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • Scopafungin
  • Scopafungin [USAN]

Synonyms

  • N-29479
  • Nificin
  • Niphimycin Ialpha
  • NSC 107041
  • NSC-107041
  • Scopafungin
  • Stereoisomer of 5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-15-(11-((imino(methylamino)methyl)amino)-1,3-dimethyl-7-undecenyl)-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo(31.3.1_heptatriaconta-10,12,20-trien-3-yl hydrogen propanedioate
  • U 29479
  • U-29,479
  • UNII-LOE3K7R62G

Systematic Names

  • Propanedioic acid, mono(5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-15-(11-((imino(methylamino)methyl)amino)-1,3-dimethyl-7-undecenyl)-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo(31.3.1)heptatriaconta-10,12,20-trien-3-yl) ester
  • Scopafungin

Registry Numbers

CAS Registry Number

  • 11056-18-1

FDA UNII

  • LOE3K7R62G

Other Registry Numbers

  • 116296-62-9
  • 85568-22-5

System Generated Number

  • 0011056181

Structure Descriptors

InChI

1S/C59H103N3O18/c1-34(19-14-12-10-11-13-17-26-62(9)58(60)61)27-37(4)55-36(3)20-15-16-22-46(65)38(5)49(68)29-43(64)28-44(78-52(72)32-51(70)71)30-45-31-50(69)56(75)59(77,80-45)33-42(63)21-18-23-47(66)39(6)54(74)41(8)53(73)35(2)24-25-48(67)40(7)57(76)79-55/h10-11,15-16,20,22,24-25,34-50,53-56,63-69,73-75,77H,12-14,17-19,21,23,26-33H2,1-9H3,(H3,60,61)(H,70,71)/b11-10+,20-15+,22-16+,25-24+

InChIKey

RSODTZFJSFMTPQ-NBURPXERSA-N

Smiles

CC(CCC\C=C\CCCN(C)C(=N)N)CC(C)C1OC(=O)C(C)C(O)\C=C\C(C)C(O)C(C)C(O)C(C)C(O)CCCC(O)CC2(O)OC(CC(O)C2O)CC(CC(O)CC(O)C(C)C(O)\C=C\C=C\C1C)OC(=O)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7mg/kg (7mg/kg)   "Compounds Available for Fundamental Research, Volume II-6, Antibiotics, A Program of Upjohn Company Research Laboratory." Vol. 2(6), Pg. -, 1971.