ISAVUCONAZONIUM SULFATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C35H35F2N8O5S.HO4S
Molecular Weight	814.835
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS([O-])(=O)=O.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=LWXUIUUOMSMZKJ-KLFWAVJMSA-M

InChI=1S/C35H35F2N8O5S.H2O4S/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;1-5(2,3)4/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1/t22-,23?,35+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	HO4S
Molecular Weight	97.071
Charge	-1
Count

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

Molecular Formula	C35H35F2N8O5S
Molecular Weight	717.765
Charge	1
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:10:13 UTC 2023` Edited by `admin` on `Sat Dec 16 10:10:13 UTC 2023`
Record UNII	31Q44514JV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISAVUCONAZONIUM SULFATE

Official Name

English

AK-1820

Code

English

ISAVUCONAZONIUM SULFATE [ORANGE BOOK]

Common Name

English

ISAVUCONAZONIUM SULFATE [JAN]

Common Name

English

AK1820

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)acetyl]oxy}methyl)pyridin-2-yl]carbamoyl}oxy)ethyl]-1H-1,2,4-triazol-4-ium monosulfate

Systematic 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, SULFATE (1:1)

Systematic Name

English

Isavuconazonium sulfate [WHO-DD]

Common Name

English

BAL-8557-002

Code

English

ISAVUCONAZONIUM SULFATE [USAN]

Common Name

English

BAL8557-002

Code

English

CRESEMBA

Brand Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

395013