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Substance Name: Amphotericin B, N-(1-deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)-
RN: 136365-26-9
InChIKey: YYVJNIYMABZJJH-JUDDJSFDSA-N

Molecular Formula

  • C60-H87-N-O22

Molecular Weight

  • 1174.3323
 
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Names and Synonyms

Synonyms

  • N-(1-Deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)amphotericin B
  • N-(1-Deoxy-4,6-O-benzylidene-D-fructos-1-yl)amphotericin B

Systematic Name

  • Amphotericin B, N-(1-deoxy-4,6-O-(phenylmethylene)-D-fructos-1-yl)-

Registry Numbers

CAS Registry Number

  • 136365-26-9

System Generated Number

  • 0136365269

Structure Descriptors

InChI

1S/C60H87NO22/c1-34-20-16-13-11-9-7-5-6-8-10-12-14-19-23-42(81-59-55(74)51(53(72)37(4)80-59)61-32-46(68)54(73)56-47(69)33-78-58(82-56)38-21-17-15-18-22-38)29-48-50(57(75)76)45(67)31-60(77,83-48)30-41(64)27-44(66)43(65)25-24-39(62)26-40(63)28-49(70)79-36(3)35(2)52(34)71/h5-23,34-37,39-45,47-48,50-56,58-59,61-67,69,71-74,77H,24-33H2,1-4H3,(H,75,76)/b6-5+,9-7+,10-8+,13-11+,14-12+,20-16+,23-19+

InChIKey

YYVJNIYMABZJJH-JUDDJSFDSA-N

Smiles

CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)NCC(=O)C(C4C(COC(O4)c5ccccc5)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
monkey LD intravenous > 15mg/kg (15mg/kg)   Drugs of the Future. Vol. 22, Pg. 634, 1997.
mouse LD50 intravenous 10mg/kg (10mg/kg)   Drugs of the Future. Vol. 22, Pg. 634, 1997.