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Substance Name: RFI-641 free acid
RN: 197366-84-0
UNII: QL236139NM
InChIKey: ZETYKEPFFRMVBX-UHFFFAOYSA-N

Molecular Formula

  • C58-H62-N24-O22-S6

Molecular Weight

  • 1639.6698
 
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Names and Synonyms

Name of Substance

  • RFI-641 free acid

Synonym

  • UNII-QL236139NM

Registry Numbers

CAS Registry Number

  • 197366-84-0

FDA UNII

  • QL236139NM

System Generated Number

  • 0197366840

Structure Descriptors

InChI

1S/C58H62N24O22S6/c59-45(83)23-79(24-46(60)84)105(91,92)37-9-1-5-31(17-37)67-53-73-54(68-32-6-2-10-38(18-32)106(93,94)80(25-47(61)85)26-48(62)86)76-57(75-53)71-35-13-15-41(43(21-35)109(99,100)101)42-16-14-36(22-44(42)110(102,103)104)72-58-77-55(69-33-7-3-11-39(19-33)107(95,96)81(27-49(63)87)28-50(64)88)74-56(78-58)70-34-8-4-12-40(20-34)108(97,98)82(29-51(65)89)30-52(66)90/h1-22H,23-30H2,(H2,59,83)(H2,60,84)(H2,61,85)(H2,62,86)(H2,63,87)(H2,64,88)(H2,65,89)(H2,66,90)(H,99,100,101)(H,102,103,104)(H3,67,68,71,73,75,76)(H3,69,70,72,74,77,78)

InChIKey

ZETYKEPFFRMVBX-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)S(=O)(=O)N(CC(=O)N)CC(=O)N)Nc2nc(nc(n2)Nc3ccc(c(c3)S(=O)(=O)O)c4ccc(cc4S(=O)(=O)O)Nc5nc(nc(n5)Nc6cccc(c6)S(=O)(=O)N(CC(=O)N)CC(=O)N)Nc7cccc(c7)S(=O)(=O)N(CC(=O)N)CC(=O)N)Nc8cccc(c8)S(=O)(=O)N(CC(=O)N)CC(=O)N