Basic information
- CAS
7599-79-3- Standard SMILES
CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
PYTMYKVIJXPNBD-BTKVJIOYSA-N- Molecular formula
- C32H36ClNO8
- Average molar mass
- 598.1 g/mol
- Monoisotopic mass
- 597.2129448
Overview
Clomiphene Citrate can cause cancer and developmental toxicity according to state or federal government labeling requirements.
Names & identifiers
- Preferred name
- Enclomiphene Citrate
- IUPAC
- 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
- English name
- trans-Clomiphene Citrate
- Molecular formula
- C26H28ClNO.C6H8O7
- Molecular weight
- 598.08
Names & synonyms
Enclomiphene citrate7599-79-3trans-Clomiphene citrateEnclomidClomiphene b citrate(E)-Clomiphene citrateJ303A6U9Y6DTXSID80226887Citrate, Enclomiphenetrans Clomiphene CitrateRefChem:920939Citrate, trans-Clomiphene
Show more names
Enclomifene citrateUnii-J303A6U9Y6tans-clomifene citrate
DTXCID10149378(E)-2-(p-(2-Chloro-1,2-Diphenylvinyl)phenoxy)triethylamine CitrateAndroxalClomiphene (citrate)Enclomiphene citrate [USAN]Clomidtrans-Clomifene citrate2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Database identifiers
- CAS
7599-79-3- PubChem CID
- 6420009
- DTXSID
DTXSID80226887- ChEMBL
CHEMBL1200667- UNII
- J303A6U9Y6
- EC Number
- 690-639-7
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 708
Physicochemical properties
- Melting point
- 143 · 143-145°C
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly, Heated, Sonicated)
- form
- Solid
- color
- White to Off-White
- Stability
- Light Sensitive
- InChIKey
- PYTMYKVIJXPNBD-BTKVJIOYSA-N
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 303 A6U9Y6 · J303A6U9Y6
- NCI Drug Dictionary
- enclomiphene citrate
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 360 · H360
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Other Safety InformationIMAP assessments - Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, (E)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1): Environment tier I assessment
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H360
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.
Compounds which increase the capacity to conceive in females.
A structurally diverse group of compounds distinguished from ESTROGENS by their ability to bind and activate ESTROGEN RECEPTORS but act as either an agonist or antagonist depending on the tissue type and hormonal milieu. They are classified as either first generation because they demonstrate estrogen agonist properties in the ENDOMETRIUM or second generation based on their patterns of tissue specificity. (Horm Res 1997;48:155-63)
Applications
Usestrans-Clomiphene Citrate, stereoisomer of Clomiphene Citrate (C587025), a synthetic estrogen agonist-antagonist. Gonad-stimulating principle.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
山东科立康药业有限公司053-88113608 17854192669 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
Related reactions
2 records
Compound notes
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