Omshri Labs

CAS 134071-44-6

Chemistry, 2 End Use API, 13 Related Intermediates

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Also known as: 134071-44-6, Cis-[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl p-tolylsulfonate, [2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate, Schembl6315121, Ft-0666611, 2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol 4-methylbenzenesulfonate

Molecular Formula

C₂₁H₂₀Cl₂N₂O₅S

Molecular Weight

483.4 g/mol

InChI Key

WAXNIYHZFWRPGS-UHFFFAOYSA-N

1 2D Structure

CAS 134071-44-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

2.1.2 InChI

InChI=1S/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3

2.1.3 InChI Key

WAXNIYHZFWRPGS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 134071-44-6

2. Cis-[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl P-tolylsulfonate

3. [2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

4. Schembl6315121

5. Ft-0666611

6. 2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol 4-methylbenzenesulfonate

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₀Cl₂N₂O₅S
Molecular Weight	483.4 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	482.0469983 g/mol
Monoisotopic Mass	482.0469983 g/mol
Topological Polar Surface Area	88 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Bis(2-chloroethyl)amine hydrochloride

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CAS Number

821-48-7

End Use API

Ketoconazole

About the Company

Omshri Labs is a privately held specialty chemicals company with corporate headquarters in Indore, Madhya...

Omshri Labs is a privately held specialty chemicals company with corporate headquarters in Indore, Madhya Pradesh. Our company is a leader in chemical technology for Active Pharmaceutical Ingredients (APIs), Intermediates, and custom batch manufacturing. We are committed to “Serve High-Quality Products” to the leading pharma companies in domestic and international markets. Our Research and Development team is highly experienced to synthesis complex and innovative products. We have strong capabilities in process chemistry and develop high quality products efficiently and cost effectively.

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