Terconazole

CAT: 0931-T2213-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T2213-02Size:50 mg

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CAS Number

67915-31-5

Target

Antifection, Antifungal

Related Pathways

Microbiology/Virology

Purity

0.9994

Bioactivity

Terconazole (Terazol 7) is a synthetic triazole derivative structurally related to fluconazole, antifungal Terconazole seems to disrupt cell wall synthesis by inhibiting biosynthesis of ergosterol or other sterols, damaging the fungal cell membrane, altering its permeability, and promoting loss of essential intracellular elements. Terconazole is active against Candida sp.

Smiles

C([C@]1(O[C@@H](COC2=CC=C(C=C2)N3CCN(C(C)C)CC3)CO1)C4=C(Cl)C=C(Cl)C=C4)N5C=NC=N5

Molecular Formula

C26H31Cl2N5O3

Molecular Weight

532.46

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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
BA1672-5.1	Terconazole
AR-T04495-01	Terconazole-d8
HY-B1790R-01	Terconazole (Standard)

Terconazole

Chemical Information

Alternative Products

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