aspidofractinine (Q27116625)

Aspidofractinine (English)

(1S,9R,16R,21S)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene

6 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄N₂

1 reference

Aspidofractinine (English)

6 October 2016

canonical SMILES

C1CC23CCC4(CC2)C5(C3N(C1)CC5)C6=CC=CC=C6N4

1 reference

Aspidofractinine (English)

6 October 2016

isomeric SMILES

C1CC23CCC4(CC2)[C@@]5([C@H]3N(C1)CC5)C6=CC=CC=C6N4

1 reference

Aspidofractinine (English)

InChI=1S/C19H24N2/c1-2-5-15-14(4-1)19-11-13-21-12-3-6-17(16(19)21)7-9-18(19,20-15)10-8-17/h1-2,4-5,16,20H,3,6-13H2/t16-,17?,18?,19+/m0/s1

6 October 2016

Identifiers

InChI

1 reference

Aspidofractinine (English)

BIBZWCCWSCCFBB-MKCYZYCBSA-N

6 October 2016

InChIKey

2 references

Aspidofractinine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Aspidofractinine (English)

6 October 2016

2 references

Aspidofractinine (English)

matched by identifier from

6 October 2016

InChIKey

BIBZWCCWSCCFBB-MKCYZYCBSA-N

Reaxys registry number

1589859

1 reference

aspidofractinine (English)

6 October 2016

ChEBI ID

35918

mapping relation type

2 references

aspidofractinine (English)