ISAVUCONAZONIUM

Details

Stereochemistry	EPIMERIC
Molecular Formula	C35H35F2N8O5S
Molecular Weight	717.765
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

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=RSWOJTICKMKTER-QXLBVTBOSA-N

InChI=1S/C35H35F2N8O5S/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/q+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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:58:55 UTC 2023` Edited by `admin` on `Sat Dec 16 01:58:55 UTC 2023`
Record UNII	VH2L779W8Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISAVUCONAZONIUM

Official Name

English

ISAVUCONAZONIUM ION

Common Name

English

BAL-8557

Code

English

BAL-8557-000

Code

English

BAL8557-000

Code

English

ISAVUCONAZONIUM [USAN]

Systematic Name

English

Isavuconazonium [WHO-DD]

Common Name

English

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

Systematic Name

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

Systematic Name

English

BAL8557

Code

English

BAL-8557000

Code

English

ISAVUCONAZONIUM CATION

Common Name

English

Code System Code Type Description

ChEMBL

CHEMBL1183349