Registration Dossier

General information

Inventory

EC number:
436-150-2
EC name:
-
CAS number:
-
Description:
POSACONAZOLE WB; SCH 56592-WB

No inventory information available

Reference substance information

Synonyms
Names:
Identifier:
IUPAC name
{(3S,5R)-5-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-1-ylmethyl)oxolan-3-yl}methyl 4-chlorobenzene-1-sulfonate
(3S,5R)-4-chloro-[5-(2,4-difluorophenyl)tetrahydro-5-(1H-1,2,4-triazol-1-ylmethyl)furan-3-yl]methylbenzenesulfonate

Molecular and structural information

Molecular formula:
C20H18ClF2N3O4S
Molecular weight:
ca. 469.89
SMILES notation:
O=S(=O)(OC[C@H]2C[C@@](Cn1cncn1)(OC2)c3ccc(F)cc3F)c4ccc(Cl)cc4
InChl:
InChI=1/C20H18ClF2N3O4S/c21-15-1-4-17(5-2-15)31(27,28)30-10-14-8-20(29-9-14,11-26-13-24-12-25-26)18-6-3-16(22)7-19(18)23/h1-7,12-14H,8-11H2/t14-,20-/m0/s1
Structural formula:
Chemical structure