CAS 176721-03-2 manufacturers and suppliers on PharmaCompass

CAS 176721-03-2

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Virtual Booth

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 176721-03-2, 1'-hydroxy n-trityl medetomidine, 1-(2,3-dimethylphenyl)-1-(3-tritylimidazol-4-yl)ethanol, Schembl2205776, 1 inverted exclamation mark -hydroxy n-trityl medetomidine, Dtxsid40655275

Molecular Formula

C₃₂H₃₀N₂O

Molecular Weight

458.6 g/mol

InChI Key

JDQAHNCWMFJBCD-UHFFFAOYSA-N

1 2D Structure

CAS 176721-03-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2,3-dimethylphenyl)-1-(3-tritylimidazol-4-yl)ethanol

2.1.2 InChI

InChI=1S/C32H30N2O/c1-24-14-13-21-29(25(24)2)31(3,35)30-22-33-23-34(30)32(26-15-7-4-8-16-26,27-17-9-5-10-18-27)28-19-11-6-12-20-28/h4-23,35H,1-3H3

2.1.3 InChI Key

JDQAHNCWMFJBCD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=CC=C1)C(C)(C2=CN=CN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 176721-03-2

2. 1'-hydroxy N-trityl Medetomidine

3. 1-(2,3-dimethylphenyl)-1-(3-tritylimidazol-4-yl)ethanol

4. Schembl2205776

5. 1 Inverted Exclamation Mark -hydroxy N-trityl Medetomidine

6. Dtxsid40655275

7. 1\'-hydroxy N-trityl Medetomidine

8. Akos016004146

9. Ft-0670202

10. Dimethylphenyl)-1-(1-trityl-1h-imidazol-5-yl)ethanol

11. 1-(2,3-dimethylphenyl)-1-[1-(triphenylmethyl)-1h-imidazol-5-yl]ethan-1-ol

2.3 Create Date

2009-07-15

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₃₀N₂O
Molecular Weight	458.6 g/mol
XLogP3	6.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	458.235813585 g/mol
Monoisotopic Mass	458.235813585 g/mol
Topological Polar Surface Area	38 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	617
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Market Place

Home

Menu

Post Enquiry

Market Place

Search

CAS 176721-03-2 manufacturers and suppliers on PharmaCompass

CAS 176721-03-2

CHEMISTRY

Discover Molecule Insights

What are you looking for?