toreforant tartrate (Q27280081)

1203558-77-3 (English)

14 October 2016

chemical formula

C₅₀H₇₀N₁₂O₆

1 reference

1203558-77-3 (English)

14 October 2016

canonical SMILES

CC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C.CC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C.C(C(C(=O)O)O)(C(=O)O)O

1 reference

1203558-77-3 (English)

14 October 2016

isomeric SMILES

CC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C.CC1=CC(=C2C(=C1)NC(=N2)C3=CN=C(N=C3C)NCCCC4CCN(CC4)C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

1 reference

1203558-77-3 (English)

InChI=1S/2C23H32N6.C4H6O6/c2*1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18;5-1(3(7)8)2(6)4(9)10/h2*12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26);1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1

14 October 2016

Identifiers

InChI

1 reference

1203558-77-3 (English)

FWIDBLDKHORZBP-CEAXSRTFSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

1203558-77-3 (English)

14 October 2016

1 reference

UNII

HSV17TLD9C

toreforant tartrate (English)

14 October 2016

1 reference

toreforant tartrate (English)

14 October 2016

2 references

1203558-77-3 (English)

matched by identifier from

14 October 2016

InChIKey

FWIDBLDKHORZBP-CEAXSRTFSA-N

1 reference

2 references

Global Substance Registration System

UNII

HSV17TLD9C

toreforant tartrate (English)