(Q27137041)

Betamethasone phosphate (English)

18 November 2016

stereoisomer of

dexamethasone phosphate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀FO₈P

1 reference

Betamethasone phosphate (English)

18 November 2016

canonical SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C

1 reference

Betamethasone phosphate (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)COP(=O)(O)O)O)C)O)F)C

1 reference

Betamethasone phosphate (English)

InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

18 November 2016

Identifiers

InChI

1 reference

Betamethasone phosphate (English)

18 November 2016

2 references

Betamethasone phosphate (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

360-63-4

2 references

Global Substance Registration System

betamethasone dihydrogen phosphate (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=360-63-4

10 April 2021

1 reference

(11b,16b)-9-Fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)pregna-1,4-diene-3,20-dione (English)

18 November 2016

2 references

Betamethasone phosphate (English)

18 November 2016

ChEBI ID

68603

mapping relation type

2 references

BETAMETHASONE PHOSPHORIC ACID (English)

18 November 2016

International Chemical Identifier

InChI

InChI=1S/C22H30FO8P/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

1 reference

BETAMETHASONE PHOSPHORIC ACID (English)

18 November 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

DTXCID0027224

0 references

EC number

206-636-7

1 reference

Global Substance Registration System

betamethasone dihydrogen phosphate (English)

ECHA Substance Infocard ID

18 November 2016

100.006.034

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.006.034

27 December 2018

9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-(hydrogen phosphonate) (English)

quotation

CAS no.: 360-63-4 (English)

DrugBank ID

DB14669

1 reference

2 references

Global Substance Registration System

betamethasone dihydrogen phosphate (English)

18 November 2016