ravuconazole (Q7296826)

Ravuconazole (English)

14 October 2016

chemical formula

C₂₂H₁₇F₂N₅OS

1 reference

Ravuconazole (English)

14 October 2016

canonical SMILES

CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O

1 reference

Ravuconazole (English)

14 October 2016

isomeric SMILES

C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=C(C=C4)F)F)O

1 reference

Ravuconazole (English)

InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1

14 October 2016

Commons category

Ravuconazole

0 references

Identifiers

InChI

1 reference

Ravuconazole (English)

14 October 2016

2 references

Ravuconazole (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

182760-06-1

2 references

Global Substance Registration System

UNII

95YH599JWV

ravuconazole (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=182760-06-1

8 April 2021

1 reference

Ravuconazole (English)

14 October 2016

2 references

Ravuconazole (English)

14 October 2016

ChEBI ID

143825

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

RAVUCONAZOLE (English)

14 October 2016

1 reference

2 references

DSSTOX compound identifier

DTXCID7093820

0 references

DrugBank ID

DB06440

1 reference

UNII

95YH599JWV

2 references

Global Substance Registration System

UNII

95YH599JWV

ravuconazole (English)

14 October 2016