Apohyoscine (Q27105816)

(2R,4S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl atropate (English)

5 October 2016

chemical formula

C₁₇H₁₉NO₃

0 references

canonical SMILES

C=C(C1=CC=CC=C1)C(=O)OC2(CC3(C4(C(C(C2)(N3C)[H])(O4)[H])[H])[H])[H]

1 reference

Apohyoscine (English)

5 October 2016

isomeric SMILES

C=C(C1=CC=CC=C1)C(=O)O[C@]2(CC3([C@]4([C@@](C(C2)(N3C)[H])(O4)[H])[H])[H])[H]

1 reference

Apohyoscine (English)

InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13?,14?,15-,16+

5 October 2016

Identifiers

InChI

1 reference

Apohyoscine (English)

JJNVDCBKBUSUII-UJIFDXPISA-N

5 October 2016

InChIKey

2 references

Apohyoscine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Apohyoscine (English)

5 October 2016

1 reference

(2R,4S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl atropate (English)

5 October 2016

ChEBI ID

2785

mapping relation type

2 references

Apohyoscine (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13?,14?,15-,16+

1 reference

Apohyoscine (English)

5 October 2016

1 reference

Apohyoscine (English)