Anecortave

HCID 7074810
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Basic information

CAS
10184-70-0
Standard SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
InChIKey
BCFCRXOJOFDUMZ-ONKRVSLGSA-N
Molecular formula
C21H28O4
Average molar mass
344.4 g/mol
Monoisotopic mass
344.19875938

Overview

Anecortave is a 21-hydroxy steroid.

Names & identifiers

Preferred name
Anecortave
IUPAC
(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one
English name
ANECORTAVE ACETATE RELATED COMPOUND A (20 MG) (9(11 )-DEHYDROCORTISOL)
Molecular formula
C21H28O4
Molecular weight
344.44

Names & synonyms

Anecortave10184-70-017,21-Dihydroxypregna-4,9(11)-diene-3,20-dioneR5Y8O51589AL-4940DTXSID70144268AL4940anecortavumRefChem:112653DTXCID4066759S01LA02(2S,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-1(17),6-dien-5-one
Show more names
AL 4940Delta-9-Susbtance ‘S’Zolpidem Impurity 63-d6Hydrocortisone Impurity 38Pregna-4,9(11)-diene-3,20-dione, 17,21-dihydroxy-ANECORTAVE ACETATE RELATED COMPOUND A (20 MG) (9(11 )-DEHYDROCORTISOL)(8S,10S,13S,14S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
anecortava21-Desacetyl anecortaveAnecortave [USAN]Anecortave (usan)(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one17-Desacetyl AnecortaveHydrocortisone Impurity 31UNII-R5Y8O51589

Database identifiers

CAS
10184-70-0
PubChem CID
7074810
DTXSID
DTXSID70144268
ChEMBL
CHEMBL2348782
ChEBI
CHEBI:177649
UNII
R5Y8O51589
Nikkaji
J1.914.018K

Properties

Computed structural properties

XLogP
2
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
25

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Melting point
231 · 231-233 °C(Solv: tetrahydrofuran (109-99-9))
Boiling point
540.4 · 540.4±50.0 °C(Predicted)
Density
1.24 · 1.24±0.1 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
DMSO (Slightly, Sonicated), Methanol (Slightly, Heated)
pka
12.52 · 12.52±0.60(Predicted)

Chemistry & industry

Pharmacology

ATC Code · 2 items

S - Sensory organs

QS - Sensory organs

MeSH Pharmacological ClassificationAgents and endogenous substances that antagonize or inhibit the development of new blood vessels.

Applications

Uses17-Desacetyl Anecortave is a Anecortave Acetate (A637640). It displays glucocorticoid and mineralocorticoid receptor binding activities.

Suppliers24 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]

Additional notes

DefinitionChEBI: Anecortave is a 21-hydroxy steroid.

Related reactions

6 records
New reaction record

Compound notes

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