ESTROPIPATE

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Trade Names:
Synonyms:
Status: Approved (1977)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: SVI38UY019

Structure
InChI Key HZEQBCVBILBTEP-ZFINNJDLSA-N
Smile C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O
InChI
InChI=1S/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32N2O5S
Molecular Weight 436.57
AlogP 3.29
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 80.67
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Estrogen receptor alpha agonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Reproductive system and breast disorders
28.64
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
25.13
General disorders and administration site conditions
10.8
Immune system disorders
9.05
Psychiatric disorders
5.78
Musculoskeletal and connective tissue disorders
5.03
Nervous system disorders
3.77
Vascular disorders
3.77
Respiratory, thoracic and mediastinal disorders
2.01
Skin and subcutaneous tissue disorders
2.01

Cross References

Resources Reference
ChEBI 4873
ChEMBL CHEMBL1200980
DrugBank DB04574
EPA CompTox DTXSID3023005
FDA SRS SVI38UY019
KEGG C02538
PharmGKB PA165958342
PubChem 5284555
SureChEMBL SCHEMBL21577
ZINC ZINC03876186
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