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Substance Name: Mycoplanecin A, 9-(N-methyl-2-aminoheptanoic acid)-
RN: 81018-83-9
InChIKey: NDWOINLWKNMGFD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C62-H104-N10-O13

Molecular Weight

  • 1197.5606
 
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Names and Synonyms

Synonyms

  • 9-(N-Methyl-2-aminoheptanoic acid)mycoplanecin A
  • Mycoplanecin C

Systematic Name

  • Mycoplanecin A, 9-(N-methyl-2-aminoheptanoic acid)-

Registry Numbers

CAS Registry Number

  • 81018-83-9

System Generated Number

  • 0081018839

Structure Descriptors

InChI

1S/C62H104N10O13/c1-18-21-22-24-44-53(75)63-32-49(74)85-40(13)52(69(17)59(81)47-31-41(19-2)34-72(47)62(84)51(38(10)11)68(16)60(82)48(73)20-3)55(77)65-43(29-36(6)7)57(79)71-33-39(12)30-46(71)54(76)64-42(27-26-35(4)5)56(78)67(15)50(37(8)9)61(83)70-28-23-25-45(70)58(80)66(44)14/h35-47,50-52H,18-34H2,1-17H3,(H,63,75)(H,64,76)(H,65,77)

InChIKey

NDWOINLWKNMGFD-UHFFFAOYSA-N

Smiles

CCCCCC1C(=O)NCC(=O)OC(C(C(=O)NC(C(=O)N2CC(CC2C(=O)NC(C(=O)N(C(C(=O)N3CCCC3C(=O)N1C)C(C)C)C)CCC(C)C)C)CC(C)C)N(C)C(=O)C4CC(CN4C(=O)C(C(C)C)N(C)C(=O)C(=O)CC)CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #81-142250,