thiamine disulfide nitrate (Q27237361)

UNII-0Z281VOQ5O (English)

13 October 2016

chemical formula

C₂₄H₃₆N₁₀O₁₀S₂

1 reference

UNII-0Z281VOQ5O (English)

13 October 2016

canonical SMILES

CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCO)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCO)C.[N+](=O)(O)[O-].[N+](=O)(O)[O-]

1 reference

UNII-0Z281VOQ5O (English)

13 October 2016

isomeric SMILES

CC1=NC=C(C(=N1)N)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(N=C2N)C)/C)/CCO)/CCO)/C)C=O.[N+](=O)([O-])O.[N+](=O)([O-])O

1 reference

UNII-0Z281VOQ5O (English)

InChI=1S/C24H34N8O4S2.2HNO3/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26;2*2-1(3)4/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30);2*(H,2,3,4)/b21-15-,22-16-;;

13 October 2016

Identifiers

InChI

1 reference

UNII-0Z281VOQ5O (English)

MSVPLGIAUQGBIU-PAAHXCEKSA-N

13 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-0Z281VOQ5O (English)

13 October 2016

1 reference

UNII

0Z281VOQ5O

thiamine disulfide nitrate (English)

13 October 2016

1 reference

N,N'-{Disulfanediylbis[(2Z)-5-hydroxy-2-pentene-3,2-diyl]}bis{N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]formamide} nitrate (1:2) (English)

13 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

UNII-0Z281VOQ5O (English)

13 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

0Z281VOQ5O

thiamine disulfide nitrate (English)