2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLANE-4-METHANOL, (2R,4S)-(±)--

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Details

Stereochemistry	RACEMIC
Molecular Formula	C14H14Cl2N2O3
Molecular Weight	329.179
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLANE-4-METHANOL, (2R,4S)-(±)--

Structure Search

SMILES

OC[C@H]1CO[C@@](CN2C=CN=C2)(O1)C3=C(Cl)C=C(Cl)C=C3

InChI

InChIKey=VJZJGRMLFMJRGG-FZMZJTMJSA-N

InChI=1S/C14H14Cl2N2O3/c15-10-1-2-12(13(16)5-10)14(8-18-4-3-17-9-18)20-7-11(6-19)21-14/h1-5,9,11,19H,6-8H2/t11-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H14Cl2N2O3
Molecular Weight	329.179
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:48:30 GMT 2023` Edited by `admin` on `Sat Dec 16 13:48:30 GMT 2023`
Record UNII	L12GHF7MXQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLANE-4-METHANOL, (2R,4S)-(±)--

Systematic Name

English

1,3-DIOXOLANE-4-METHANOL, 2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-, CIS-

Systematic Name

English

REL-(2R,4S)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLANE-4-METHANOL

Systematic Name

English

Code System Code Type Description

FDA UNII

L12GHF7MXQ

Created by admin on Sat Dec 16 13:48:30 GMT 2023 , Edited by admin on Sat Dec 16 13:48:30 GMT 2023

PRIMARY

CAS

61397-58-8

Created by admin on Sat Dec 16 13:48:30 GMT 2023 , Edited by admin on Sat Dec 16 13:48:30 GMT 2023

PRIMARY

PUBCHEM

794639

Created by admin on Sat Dec 16 13:48:30 GMT 2023 , Edited by admin on Sat Dec 16 13:48:30 GMT 2023

PRIMARY

ECHA (EC/EINECS)

262-766-4

Created by admin on Sat Dec 16 13:48:30 GMT 2023 , Edited by admin on Sat Dec 16 13:48:30 GMT 2023

PRIMARY

EPA CompTox

DTXSID501126656

Created by admin on Sat Dec 16 13:48:30 GMT 2023 , Edited by admin on Sat Dec 16 13:48:30 GMT 2023

PRIMARY

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Comments:

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Qualification:

MAY BE CLINICALLY SIGNIFICANT