dexamethasone acefurate (Q27292297)

UNII-W4N6E1T46B (English)

18 November 2016

chemical formula

C₂₉H₃₃FO₈

1 reference

UNII-W4N6E1T46B (English)

18 November 2016

canonical SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)OC(=O)C5=CC=CO5)C)O)F)C

1 reference

UNII-W4N6E1T46B (English)

18 November 2016

isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C5=CC=CO5)C)O)F)C

1 reference

UNII-W4N6E1T46B (English)

InChI=1S/C29H33FO8/c1-16-12-21-20-8-7-18-13-19(32)9-10-26(18,3)28(20,30)23(33)14-27(21,4)29(16,24(34)15-37-17(2)31)38-25(35)22-6-5-11-36-22/h5-6,9-11,13,16,20-21,23,33H,7-8,12,14-15H2,1-4H3/t16-,20+,21+,23+,26+,27+,28+,29+/m1/s1

18 November 2016

Identifiers

InChI

1 reference

UNII-W4N6E1T46B (English)

DDIWRLSEGOVQQD-BJRLRHTOSA-N

18 November 2016

InChIKey

2 references

UNII-W4N6E1T46B (English)

Global Substance Registration System

18 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

83880-70-0

2 references

stated in

UNII

W4N6E1T46B

dexamethasone acefurate (English)

DDIWRLSEGOVQQD-BJRLRHTOSA-N

18 November 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=83880-70-0

1 reference

9-Fluoro-11b,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-Acetate 17-(2-Furaoate) (English)

18 November 2016

1 reference

UNII-W4N6E1T46B (English)

18 November 2016

ChEBI ID

135819

mapping relation type

exact match

1 reference

stated in

ChEBI release 2019-10-02

1 reference

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

DEXAMETHASONE ACEFURATE (English)

18 November 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

W4N6E1T46B