Terconazole

CAT: 0957-S5033-01Size: 25 mgDry Ice: YesHazardous: No

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CAT#:0957-S5033-01Size:25 mg

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Description

Terconazole (Terazol 3, Terazol 7, Triaconazole, Gyno-Terazol, R42470) is a new, broad-spectrum, triazole antifungal agent which is primarily used to treat vaginal fungal infections.

CAS Number

67915-31-5

Synonyms

Terazol 3, Terazol 7, Triaconazole, Gyno-Terazol, R42470

Target

Fungal

Activity

Microbiology

Molecular Formula

C26H31Cl2N5O3

Storage Conditions

2 years -80 in solvent

Chemical Information

Terconazole

(2R,4S)-terconazole is a 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively. It is an enantiomer of a (2S,4R)-terconazole.

CAS Number	67915-31-5
PubChem CID	441383
IUPAC Name	1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine
Molecular Formula	C26H31Cl2N5O3
Molecular Weight	532.5
XLogP	4.8
Topological Polar Surface Area	64.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	36
Formal Charge	0
Complexity	692

SMILES

CC(C)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=NC=N4)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1

InChIKey

BLSQLHNBWJLIBQ-OZXSUGGESA-N

Chemical Structure

2D Structure

CAS: 67915-31-5

CID: 441383

Formula: C26H31Cl2N5O3

MW: 532.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	532.5
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	531.1803953
Monoisotopic Mass	531.1803953
Topological Polar Surface Area	64.9 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	692
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
sc-473078	Terconazole
AR-T04495-01	Terconazole-d8
HY-B1790R-01	Terconazole (Standard)
467000-01	Terconazole-d4

Terconazole

Chemical Information

Alternative Products

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