akuammine hydrochloride ethanolate (Q27284799)

UNII-NCM158O1PD (English)

14 October 2016

chemical formula

C₂₄H₃₃ClN₂O₅

1 reference

UNII-NCM158O1PD (English)

14 October 2016

canonical SMILES

CCO.CC=C1CN2CCC34C5=C(C=CC(=C5)O)N(C36C2CC1C4(CO6)C(=O)OC)C.Cl

1 reference

UNII-NCM158O1PD (English)

14 October 2016

isomeric SMILES

CCO.C/C=C\1/CN2CC[C@@]34C5=C(C=CC(=C5)O)N([C@@]36[C@@H]2C[C@@H]1[C@@]4(CO6)C(=O)OC)C.Cl

1 reference

UNII-NCM158O1PD (English)

InChI=1S/C22H26N2O4.C2H6O.ClH/c1-4-13-11-24-8-7-21-16-9-14(25)5-6-17(16)23(2)22(21)18(24)10-15(13)20(21,12-28-22)19(26)27-3;1-2-3;/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3;3H,2H2,1H3;1H/b13-4-;;/t15-,18-,20-,21-,22+;;/m0../s1

14 October 2016

Identifiers

InChI

1 reference

UNII-NCM158O1PD (English)

HLNLVODCLRDGEN-URTOBATPSA-N

14 October 2016

InChIKey

1 reference

UNII-NCM158O1PD (English)

14 October 2016

1 reference

Methyl (2beta,16R,19E)-10-hydroxy-1-methyl-1,2-dihydro-2,17-epoxyakuammilan-16-carboxylate - ethanol hydrochloride (1:1:1) (English)

14 October 2016

2 references

UNII-NCM158O1PD (English)

matched by identifier from

14 October 2016

InChIKey

HLNLVODCLRDGEN-URTOBATPSA-N

1 reference

2 references

Global Substance Registration System

UNII

NCM158O1PD

akuammine hydrochloride ethanolate (English)