ITRACONAZOLE TRIHYDROCHLORIDE

Details

Stereochemistry	MIXED
Molecular Formula	C35H38Cl2N8O4.3ClH
Molecular Weight	815.016
Optical Activity	( + / - )
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ITRACONAZOLE TRIHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.Cl.CCC(C)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC[C@H]5CO[C@@](CN6C=NC=N6)(O5)C7=C(Cl)C=C(Cl)C=C7)C=C4

InChI

InChIKey=IKQCHGBROJMCCD-MEBRADKNSA-N

InChI=1S/C35H38Cl2N8O4.3ClH/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37;;;/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3;3*1H/t25?,31-,35-;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula	C35H38Cl2N8O4
Molecular Weight	705.633
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
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 `Sat Dec 16 15:16:54 UTC 2023` Edited by `admin` on `Sat Dec 16 15:16:54 UTC 2023`
Record UNII	36RJ1K4UXZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ITRACONAZOLE TRIHYDROCHLORIDE

Common Name

English

Code System Code Type Description

PUBCHEM

146019541

Created by admin on Sat Dec 16 15:16:55 UTC 2023 , Edited by admin on Sat Dec 16 15:16:55 UTC 2023

PRIMARY

FDA UNII

36RJ1K4UXZ

Created by admin on Sat Dec 16 15:16:55 UTC 2023 , Edited by admin on Sat Dec 16 15:16:55 UTC 2023

PRIMARY

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Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC