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Substance Name: Diquinine carbonate
RN: 146-06-5
InChIKey: SGVOBPZBFAAJHA-QFLTYSJASA-N

Molecular Formula

  • C41-H46-N4-O5

Molecular Weight

  • 674.8374
 
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Names and Synonyms

Synonym

  • EINECS 205-662-6

Systematic Name

  • Diquinine carbonate

Registry Numbers

CAS Registry Number

  • 146-06-5

System Generated Number

  • 0000146065

Structure Descriptors

InChI

1S/C41H46N4O5/c1-5-25-23-44-17-13-27(25)19-37(44)39(31-11-15-42-35-9-7-29(47-3)21-33(31)35)49-41(46)50-40(38-20-28-14-18-45(38)24-26(28)6-2)32-12-16-43-36-10-8-30(48-4)22-34(32)36/h5-12,15-16,21-22,25-28,37-40H,1-2,13-14,17-20,23-24H2,3-4H3/t25-,26-,27?,28?,37?,38?,39+,40+/m1/s1

InChIKey

SGVOBPZBFAAJHA-QFLTYSJASA-N

Smiles

COc1ccc2c(c1)c(ccn2)[C@@H](C3CC4CCN3C[C@H]4C=C)OC(=O)O[C@@H](c5ccnc6c5cc(cc6)OC)C7CC8CCN7C[C@H]8C=C