ORCONAZOLE NITRATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H15Cl3N2O.HNO3
Molecular Weight	444.696
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ORCONAZOLE NITRATE

Structure Search

SMILES

O[N+]([O-])=O.ClC1=CC=C(C=C1)C(CN2C=CN=C2)OCC3=C(Cl)C=CC=C3Cl

InChI

InChIKey=DMCCWOOTCTWSHF-UHFFFAOYSA-N

InChI=1S/C18H15Cl3N2O.HNO3/c19-14-6-4-13(5-7-14)18(10-23-9-8-22-12-23)24-11-15-16(20)2-1-3-17(15)21;2-1(3)4/h1-9,12,18H,10-11H2;(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C18H15Cl3N2O
Molecular Weight	381.684
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	HNO3
Molecular Weight	63.0128
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:39:16 UTC 2023` Edited by `admin` on `Fri Dec 15 17:39:16 UTC 2023`
Record UNII	5PDH5H9S2D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ORCONAZOLE NITRATE

Official Name

English

R 15,556

Code

English

NSC-317630

Code

English

1H-IMIDAZOLE, 1-(2-(4-CHLOROPHENYL)-2-((2,6-DICHLOROPHENYL)METHOXY)ETHYL)-, MONONITRATE, (±)-

Systematic Name

English

R-15556

Code

English

(±)-1(P-CHLORO-.BETA.-((2,6-DICHLOROBENZYL)OXY)PHENETHYL)IMIDAZOLE MONONITRATE

Common Name

English

ORCONAZOLE NITRATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C514

Created by admin on Fri Dec 15 17:39:16 UTC 2023 , Edited by admin on Fri Dec 15 17:39:16 UTC 2023

Code System Code Type Description

PUBCHEM

167460

Created by admin on Fri Dec 15 17:39:16 UTC 2023 , Edited by admin on Fri Dec 15 17:39:16 UTC 2023

PRIMARY

NCI_THESAURUS

C90725

Created by admin on Fri Dec 15 17:39:16 UTC 2023 , Edited by admin on Fri Dec 15 17:39:16 UTC 2023

PRIMARY

CAS

66778-38-9

Created by admin on Fri Dec 15 17:39:16 UTC 2023 , Edited by admin on Fri Dec 15 17:39:16 UTC 2023

PRIMARY

NSC

317630

Created by admin on Fri Dec 15 17:39:16 UTC 2023 , Edited by admin on Fri Dec 15 17:39:16 UTC 2023

PRIMARY

FDA UNII

5PDH5H9S2D

Created by admin on Fri Dec 15 17:39:16 UTC 2023 , Edited by admin on Fri Dec 15 17:39:16 UTC 2023

PRIMARY

ChEMBL

CHEMBL2110698

Created by admin on Fri Dec 15 17:39:16 UTC 2023 , Edited by admin on Fri Dec 15 17:39:16 UTC 2023

PRIMARY

Related Record Type Details


					1AEW4KBV9O

PARENT -> SALT/SOLVATE

Related Record Type Details


					1AEW4KBV9O

ACTIVE MOIETY