2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)-, 2,2,2-trifluoroacetate (1:1)

CAS Registry Number®

361442-05-9

CAS Name

2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)-, 2,2,2-trifluoroacetate (1:1)

Molecular Formula

C18H25N3O2.C2HF3O2

Cite this Page

2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)-, 2,2,2-trifluoroacetate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=361442-05-9 (retrieved 2024-11-26) (CAS RN: 361442-05-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H25N3O2.C2HF3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;3-2(4,5)1(6)7/h10-15,23H,1-7,9,20H2;(H,6,7)/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1

InChIKey

InChIKey=KVBUVKKLNZGQEE-NHKADLRUSA-N

SMILES

[C@H](C(=O)N1[C@@]2([C@@](C2)(C[C@H]1C#N)[H])[H])(N)C34CC5(O)CC(C3)CC(C4)C5.C(C(O)=O)(F)(F)F

Canonical SMILES

N#CC1N(C(=O)C(N)C23CC4CC(CC(O)(C4)C2)C3)C5CC5C1.O=C(O)C(F)(F)F

Other Names for this Substance

  • 2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)-, 2,2,2-trifluoroacetate (1:1)
  • 2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-amino(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)-, mono(trifluoroacetate) (salt)

CAS INSIGHTSTM
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