ISAVUCONAZONIUM CHLORIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C35H35F2N8O5S.Cl.ClH
Molecular Weight	789.679
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[Cl-].CNCC(=O)OCC1=CC=CN=C1N(C)C(=O)OC(C)[N+]2=CN(C[C@@](O)([C@@H](C)C3=NC(=CS3)C4=CC=C(C=C4)C#N)C5=CC(F)=CC=C5F)N=C2

InChI

InChIKey=QELOMWCWBPJMAS-XFERGYADSA-M

InChI=1S/C35H35F2N8O5S.2ClH/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3;;/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3;2*1H/q+1;;/p-1/t22-,23?,35+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C35H34F2N8O5S
Molecular Weight	716.757
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 `Fri Dec 15 19:19:46 UTC 2023` Edited by `admin` on `Fri Dec 15 19:19:46 UTC 2023`
Record UNII	HZQ5R80I6Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISAVUCONAZONIUM CHLORIDE

Official Name

English

GLYCINE, N-METHYL-, (2-(((1-(1-((2R,3R)-3-(4-(4-CYANOPHENYL)-2-THIAZOLYL)-2-(2,5-DIFLUOROPHENYL)-2-HYDROXYBUTYL)-4H-1,2,4-TRIAZOLIUM-4-YL)ETHOXY)CARBONYL)METHYLAMINO)-3-PYRIDINYL)METHYL ESTER, CHLORIDE, HYDROCHLORIDE (1:1:1)

Systematic Name

English

isavuconazonium chloride [INN]

Common Name

English

ISAVUCONAZONIUM CHLORIDE HYDROCHLORIDE [MI]

Common Name

English

Isavuconazonium Chloride [WHO-DD]

Common Name

English

BAL-8557 CHLORIDE

Code

English

1-((2R,3R)-3-(4-(4-CYANOPHENYL)-1,3-THIAZOL-2-YL)-2-(2,5-DIFLUOROPHENYL)-2-HYDROXYBUTYL)-4-((1RS)-1-(METHYL-(3-(((METHYLAMINO)ACETYLOXY)METHYL)PYRIDIN-2-YL)CARBAMOYLOXY(ETHYL)-1,2,4-TRIAZOLIUM CHLORIDE

Systematic Name

English

ISAVUCONAZONIUM CHLORIDE HYDROCHLORIDE

Common Name

English

BAL-8557000 CHLORIDE

Code

English

Code System Code Type Description

SMS_ID

300000034235