hydroxydione (Q3792004)

DrugBank

17 November 2015

332.235145 dalton

1 reference

Hydroxydione (English)

5alpha-dihydrodeoxycorticosterone

4 October 2016

stereoisomer of

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₂₁H₃₂O₃

1 reference

Hydroxydione (English)

19 November 2016

canonical SMILES

CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4C(=O)CO)C

1 reference

Hydroxydione (English)

19 November 2016

isomeric SMILES

C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C

1 reference

Hydroxydione (English)

InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15 ,16 ,17 ,18-,20 ,21 /m1/s1

19 November 2016

Identifiers

InChI

1 reference

Hydroxydione (English)

19 November 2016

2 references

Hydroxydione (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

303-01-5

2 references

Global Substance Registration System

UNII

B7VFN88375

hydroxydione (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=303-01-5

10 April 2021

1 reference

Hydroxydione (English)

19 November 2016

2 references

Hydroxydione (English)

19 November 2016

Reaxys registry number

2625659

1 reference

5beta-dihydrodeoxycorticosterone (English)

4 October 2016

ChEBI ID

86384

mapping relation type

2 references

5beta-dihydrodeoxycorticosterone (English)

4 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15 ,16 ,17 ,18-,20 ,21 /m1/s1

SureChEMBL ID

SCHEMBL9510938

2 references

inferred from InChIKey

1 reference

1 reference

0 references

1 reference

Human Metabolome Database ID

HMDB0062609

2 references

inferred from InChIKey

UNII

B7VFN88375

2 references

Global Substance Registration System

UNII

B7VFN88375

hydroxydione (English)

19 November 2016

0 references

0 references

1 reference