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

1. Primary Information

English name: Talipexole dihydrochloride
CAS No.: 36085-73-1
Molecular formula: C10H17Cl2N3S
Molecular weight: 282.2 g/mol
SMILES: C=CCN1CCC2=C(CC1)SC(=N2)N.Cl.Cl
Structural class:
Other identifiers:

2-amino-6-allyl-5,6,7,8-tetrahydro-4H-thiazolo-(5,4-d)azepin-dihydrochloride

6-allyl-2-amino-5,6,7,8-tetrahydro-4H-thiazolo(4,5-d)azepin dihydrochloride

B HT920

B-HT 920

BHT 920

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 10mg 99% 736 2-8℃ in stock -
Kehua Intelligence 50mg 99% 1440 2-8℃ in stock -
Kehua Intelligence 100mg 99% 2480 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine;dihydrochloride


4.2 InChI

InChI=1S/C10H15N3S.2ClH/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8;;/h2H,1,3-7H2,(H2,11,12);2*1H


4.3 InChIKey

DPQAXNSOFFYKDS-UHFFFAOYSA-N


4.4 Canonical SMILES

C=CCN1CCC2=C(CC1)SC(=N2)N.Cl.Cl


4.5 Isomeric SMILES

-

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 --