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Substance Name: Dihydromycoplanecin A
RN: 79003-68-2
UNII: 60WDF8E67T
InChIKey: FKXYYGSDGSWQIM-MCVTUQHGSA-N

Note

  • Metabolite of mycoplanecin A.

Molecular Formula

  • C61-H104-N10-O13

Molecular Weight

  • 1185.55
 
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Names and Synonyms

Name of Substance

  • Dihydromycoplanecin A

Synonyms

  • Dihydromycoplanecin A
  • Mycoplanecin A, dihydro-
  • UNII-60WDF8E67T

Systematic Name

  • Mycoplanecin A, 1-(N-(2-hydroxy-1-oxobutyl)-N-methylvaline)-

Registry Numbers

CAS Registry Number

  • 79003-68-2

FDA UNII

  • 60WDF8E67T

System Generated Number

  • 0079003682

Structure Descriptors

InChI

1S/C61H104N10O13/c1-19-40-29-46(71(32-40)61(83)50(37(11)12)67(17)59(81)47(72)20-2)58(80)68(18)51-39(14)84-48(73)30-62-52(74)44(27-35(7)8)65(15)57(79)43-22-21-25-69(43)60(82)49(36(9)10)66(16)55(77)41(24-23-33(3)4)63-53(75)45-28-38(13)31-70(45)56(78)42(26-34(5)6)64-54(51)76/h33-47,49-51,72H,19-32H2,1-18H3,(H,62,74)(H,63,75)(H,64,76)/t38?,39-,40?,41+,42+,43+,44-,45+,46+,47?,49+,50+,51+/m1/s1

InChIKey

FKXYYGSDGSWQIM-MCVTUQHGSA-N

Smiles

N1(C([C@@H](N(C(=O)[C@@H](O)CC)C)C(C)C)=O)[C@H](C(N([C@@H]2C(N[C@H](C(N3[C@H](C(N[C@H](C(N([C@@H](C(C)C)C(N4[C@H](C(N([C@@H](C(NCC(O[C@@H]2C)=O)=O)CC(C)C)C)=O)CCC4)=O)C)=O)CCC(C)C)=O)C[C@@H](C3)C)=O)CC(C)C)=O)C)=O)C[C@@H](C1)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1960mg/kg (1960mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 32, Pg. 110, 1988.
rat LD50 intravenous 925mg/kg (925mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 32, Pg. 110, 1988.