EcoDrugPlus


Synonyms	(e)-clomiphene citrate Androxal Clomiphene b citrate Enclomid Enclomiphene citrate Trans-clomiphene citrate
Status
Molecule Category	Salt-form
UNII	J303A6U9Y6
EPA CompTox	DTXSID80226887
Parent Compound:	ENCLOMIPHENE

Synonyms

(e)-clomiphene citrate

Androxal

Clomiphene b citrate

Enclomid

Enclomiphene citrate

Trans-clomiphene citrate

Status

Molecule Category

Salt-form

UNII

J303A6U9Y6

EPA CompTox

DTXSID80226887

Parent Compound:

ENCLOMIPHENE


InChI Key	PYTMYKVIJXPNBD-BTKVJIOYSA-N
Smiles	CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI	InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;

InChI Key

PYTMYKVIJXPNBD-BTKVJIOYSA-N

Smiles

CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O

InChI

InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;

Property Name	Value
Molecular Formula	C32H36ClNO8
Molecular Weight	598.09
AlogP	6.56
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	12.47
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C32H36ClNO8

Molecular Weight

598.09

AlogP

6.56

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

12.47

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

29.0

Resources	Reference
ChEMBL	CHEMBL1200667
FDA SRS	J303A6U9Y6
PubChem	6420009
SureChEMBL	SCHEMBL220459

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

ENCLOMIPHENE CITRATE

Structure

Physicochemical Descriptors

Cross References