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Substance Name: Nafpenzal
RN: 78232-17-4
InChIKey: RHWGKUMGNOQCBA-XXQRSETKSA-L

Molecular Weight

  • 2254.26
 
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Names and Synonyms

Name of Substance

  • Nafpenzal

Systematic Name

  • D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-, sulfate (2:3) (salt), mixt. with

Registry Numbers

CAS Registry Number

  • 78232-17-4

System Generated Number

  • 0078232174

Structure Descriptors

InChI

1S/2C21H41N7O12.C21H22N2O5S.C16H18N2O4S.2Na.3H2O4S/c2*1-5-21(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;;;3*1-5(2,3)4/h2*5-18,26,29-36H,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);;;3*(H2,1,2,3,4)/q;;;;2*+1;;;/p-2/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;15-,16+,19-;11-,12+,14-;;;;;/m0011...../s1

InChIKey

RHWGKUMGNOQCBA-XXQRSETKSA-L

Smiles

[Na+].N12[C@H](C(C)(S[C@@H]2[C@@H](NC(=O)c2c(ccc3ccccc23)OCC)C1=O)C)C(=O)[O-].[Na+].N12[C@H](C(S[C@@H]2[C@@H](C1=O)NC(=O)Cc1ccccc1)(C)C)C(=O)[O-].N(C(N)=N)[C@H]1[C@@H]([C@H]([C@H](O[C@H]2[C@H](O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)[C@@]([C@@H](O2)C)(CO)O)[C@H]([C@@H]1O)NC(N)=N)O)O.S(=O)(=O)(O)O.N(C(N)=N)[C@H]1[C@@H]([C@H]([C@H](O[C@H]2[C@H](O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)[C@@]([C@@H](O2)C)(CO)O)[C@H]([C@@H]1O)NC(N)=N)O)O.S(=O)(=O)(O)O.S(=O)(=O)(O)O