Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: Dextrorphan-d3 Tartrate Salt
CAS No.: 1426174-16-4
Molecular formula: C21H29NO7
Molecular weight: 410.5 g/mol
SMILES: CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O.C(C(C(=O)O)O)(C(=O)O)O
Structural class:
Other identifiers:

-

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 2.5mg - 2720 -20°C in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,3R)-2,3-dihydroxybutanedioic acid;(1S,9S,10S)-17-(trideuteriomethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol


4.2 InChI

InChI=1S/C17H23NO.C4H6O6/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17;5-1(3(7)8)2(6)4(9)10/h5-6,11,14,16,19H,2-4,7-10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t14-,16+,17+;1-,2-/m11/s1/i1D3;


4.3 InChIKey

RWTWIZDKEIWLKQ-AXBPLXCXSA-N


4.4 Canonical SMILES

CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O.C(C(C(=O)O)O)(C(=O)O)O


4.5 Isomeric SMILES

[2H]C([2H])([2H])N1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --