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Substance Name: A-649
RN: 102647-16-5
UNII: I00H3G1Y5M
InChIKey: WURKLEUBADSHTC-AJVJTBPOSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C58-H84-O26

Molecular Weight

  • 1197.2756
 
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Names and Synonyms

Name of Substance

  • A-649

Synonyms

  • A 64922
  • A-649
  • Antibiotic A-649
  • Antibiotic A-649-22
  • Bristol A-649
  • C-1228
  • NSC 38270
  • UNII-I00H3G1Y5M

Systematic Name

  • Olivomycin D, 3(sup B)-O-(2',6-dideoxy-3-C-methyl-4-O-(2-methyl-1-oxopropyl)-alpha-L-arabino-hexopyranosyl)-

Registry Numbers

CAS Registry Number

  • 102647-16-5

FDA UNII

  • I00H3G1Y5M

System Generated Number

  • 0102647165

Structure Descriptors

InChI

1S/C58H84O26/c1-22(2)57(69)84-56-28(8)77-43(21-58(56,10)70)81-37-18-41(73-24(4)48(37)65)80-36-19-42(74-25(5)47(36)64)83-55-33(54(72-12)51(68)46(63)23(3)59)15-31-13-30-14-32(16-34(61)44(30)49(66)45(31)50(55)67)79-40-20-38(78-29(9)60)53(27(7)76-40)82-39-17-35(62)52(71-11)26(6)75-39/h13-14,16,22-28,33,35-43,46-48,52-56,59,61-66,70H,15,17-21H2,1-12H3/t23-,24-,25-,26-,27-,28+,33+,35-,36-,37-,38-,39-,40+,41+,42+,43+,46+,47-,48-,52+,53+,54+,55+,56+,58+/m1/s1

InChIKey

WURKLEUBADSHTC-AJVJTBPOSA-N

Smiles

CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](OC(=O)C)[C@@H](O[C@@H]5C[C@@H](O)[C@@H](OC)[C@@H](C)O5)[C@@H](C)O4)cc(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@H](O[C@H]7C[C@@H](O[C@H]8C[C@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O8)[C@H](O)[C@@H](C)O7)[C@H](O)[C@@H](C)O6)C(=O)[C@@H](O)[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5474ug/kg (5.474mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 subcutaneous 3861ug/kg (3.861mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,