Details of the Drug

General Information of Drug (ID: DMRMDWA)

• Drug Name: Estropipate
• Synonyms: Estropipate; 7280-37-7; Piperazine estrone sulfate; Harmogen; Ogen; Ortho-Est; UNII-SVI38UY019; Piperazine estronesulfate; Sulestrex; SVI38UY019; Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, compd. with piperazine (1:1); OGEN 2.5; Estropipate (USP); OGEN 5; Ogen (TN); OGEN .625; OGEN 1.25; EINECS 230-696-3; piperazine (8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl sulfate; Piperazine oestrone sulphate; Conjugated estrogens: piperazine estrone sulfate; Estrone hydrogen sulf

Indication

Disease Entry	ICD 11	Status	REF
Hypogonadism	5A61.0	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 436.6
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 7
• Chemical Identifiers:
  Formula: C22H32N2O5S
  IUPAC Name: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;piperazine
  Canonical SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1
  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
  InChIKey: HZEQBCVBILBTEP-ZFINNJDLSA-N
• Cross-matching ID:
  PubChem CID: 5284555
  ChEBI ID: CHEBI:4873
  CAS Number: 7280-37-7
  TTD ID: D03IUY
  INTEDE ID: DR0651
  ACDINA ID: D00249

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Modulator	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Hypogonadism
• ICD Disease Classification: 5A61.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	9.85E-01	2.24E-02	7.33E-02

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
FD&C blue no. 2	E00446	2723854	Colorant
Quinoline yellow WS	E00309	24671	Colorant
Sunset yellow FCF	E00255	17730	Colorant
Beta-D-lactose	E00099	6134	Diluent; Dry powder inhaler carrier; Lyophilization aid
Crospovidone	E00626	Not Available	Disintegrant
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Piperazine	E00073	4837	Other agent
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Estropipate 0.75 mg tablet	0.75 mg	Oral Tablet	Oral
Estropipate 1.5 mg tablet	1.5 mg	Oral Tablet	Oral
Estropipate 3 mg tablet	3 mg	Oral Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] US patent application no. 5,004,651, Stabilizing system for solid dosage forms.
• [3] Estrogen regulation of the cytochrome P450 3A subfamily in humans. J Pharmacol Exp Ther. 2004 Nov;311(2):728-35.