neltenexine hydrochloride (Q27253903)

N-(2,4-Dibromo-6-{[(trans-4-hydroxycyclohexyl)amino]methyl}phenyl)-2-thiophenecarboxamide hydrochloride (1:1) (English)

14 October 2016

chemical formula

C₁₈H₂₁Br₂ClN₂O₂S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CSC(=C1)C(=O)NC2=C(C=C(C=C2CNC3CCC(CC3)O)Br)Br.Cl

1 reference

neltenexine hydrochloride (English)

14 October 2016

isomeric SMILES

C1=CSC(=C1)C(=O)NC2=C(C=C(C=C2CN[C@H]3CC[C@@H](CC3)O)Br)Br.Cl

1 reference

neltenexine hydrochloride (English)

InChI=1S/C18H20Br2N2O2S.ClH/c19-12-8-11(10-21-13-3-5-14(23)6-4-13)17(15(20)9-12)22-18(24)16-2-1-7-25-16;/h1-2,7-9,13-14,21,23H,3-6,10H2,(H,22,24);1H/t13-,14-;

14 October 2016

Identifiers

InChI

1 reference

neltenexine hydrochloride (English)

ZVPWQPVEYLBIFG-SKKCDYJJSA-N

14 October 2016

InChIKey

1 reference

neltenexine hydrochloride (English)

14 October 2016

2 references

neltenexine hydrochloride (English)

ZVPWQPVEYLBIFG-SKKCDYJJSA-N

14 October 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=99461-80-0

1 reference

N-(2,4-Dibromo-6-{[(trans-4-hydroxycyclohexyl)amino]methyl}phenyl)-2-thiophenecarboxamide hydrochloride (1:1) (English)

14 October 2016

1 reference

neltenexine hydrochloride (English)