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Substance Name: Nafpenzol D.C.
RN: 80186-84-1
InChIKey: HQZAGHOKHNFVRM-LLSBFPCGSA-M

Molecular Weight

  • 1590.76
 
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Names and Synonyms

  • Nafpenzol D.C.

Registry Numbers

CAS Registry Number

  • 80186-84-1

System Generated Number

  • 0080186841

Structure Descriptors

InChI

1S/C21H41N7O12.C21H22N2O5S.C16H18N2O4S.C13H20N2O2.Na/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-18,26,29-36H,3-4H2,1-2H3,(H4,22,23,27)(H4,24,25,28);5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;/q;;;;+1/p-1/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;15-,16+,19-;11-,12+,14-;;/m011../s1

InChIKey

HQZAGHOKHNFVRM-LLSBFPCGSA-M

Smiles

C(c1ccc(cc1)N)(=O)OCCN(CC)CC.N12C(=O)[C@H](NC(=O)Cc3ccccc3)[C@H]1SC(C)(C)[C@@H]2C(=O)O.[Na+].N12[C@H](C(S[C@@H]2[C@@H](C1=O)NC(=O)c1c(ccc2ccccc12)OCC)(C)C)C(=O)[O-].O1[C@@H](O[C@@H]2[C@@]([C@@H](O[C@H]2O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(N)=N)O)NC(N)=N)C)(O)CO)[C@H]([C@@H]([C@H]([C@@H]1CO)O)O)NC