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Key Documents

SML3536

Sigma-Aldrich

Terconazole

≥98% (HPLC)

Synonym(s):

(±)​-​Terconazole, (±)-1-{4-[cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethoxy]phenyl}-4-isopropylpiperazine, cis-​1-​[4-​[[2-​(2,​4-​Dichlorophenyl)​-​2-​(1H-​1,​2,​4-​triazol-​1-​ylm ethyl)​-​1,​3-​dioxolan-​4-​yl]​methoxy]​phenyl]​-​4-​(1-​methylethyl-​piperazine

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About This Item

Empirical Formula (Hill Notation):
C26H31Cl2N5O3
CAS Number:
Molecular Weight:
532.46
UNSPSC Code:
12352200
NACRES:
NA.77

Quality Level

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

CC(C)N1CCN(C2=CC=C(OCC3OC(C4=CC=C(Cl)C=C4Cl)(CN5N=CN=C5)OC3)C=C2)CC1

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

InChI key

BLSQLHNBWJLIBQ-OZXSUGGESA-N

Biochem/physiol Actions

Potent inhibitor of fungal cytochrome P450 14-alpha-demethylase (lanosterol 14-alpha-demethylase)

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Aquatic Chronic 4 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

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