Basic information
- CAS
43054-45-1- Standard SMILES
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
PYTMYKVIJXPNBD-UHFFFAOYSA-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
- Clostilbegit
- IUPAC
- 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
- English name
- Clomiphene Citrate
- Molecular formula
- C26H28ClNO.C6H8O7
- Molecular weight
- 598.088
Names & synonyms
CLOMIPHENE CITRATEClomifene citrate50-41-9ClostilbegytIkaclomineMilophenePergotimeClomifeni citrasClomphidIkaclomin43054-45-11B8447E7YI
Show more names
Testosterone Undecanteclomifene dihydroen citrate
NSC-35770MER-41MRL-412-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)ClostilbegitClopheneNSC35770Clomiphene Citrtae
Database identifiers
- CAS
43054-45-1、50-41-9- PubChem CID
- 60974
- DTXSID
DTXSID8020337- ChEMBL
CHEMBL3185958- EC Number
- 200-035-3
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
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- InChIKey
- PYTMYKVIJXPNBD-BTKVJIOYSA-N
- SMILES
- C(=C(/Cl)\C1=CC=CC=C1)(/C1=CC=CC=C1)\C1C=CC(OCCN(CC)CC)=CC=1.C(O)(C(=O)O)(CC(=O)O)CC(=O)O
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 (10%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Hazard Traits - Carcinogenicity; Developmental Toxicity
Clomiphene citrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1): Human health tier I assessment
Hazard Classes and CategoriesRepr. 1A (10%)
Toxicology
Carcinogen Classification
Clomiphene citrate
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 21: (1979) Sex Hormones (II)
1987
1987
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Clomiphene citrate
vLess-DILI-concern
3
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
CLOMIPHENE CITRATE
Estrogen Agonist/Antagonist [EPC]; Selective Estrogen Receptor Modulators [MoA]
CLOMIPHENE CITRTAE
Estrogen Agonist/Antagonist [EPC]; Selective Estrogen Receptor Modulators [MoA]
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
DescriptionClomifene Citrate, the trade name of French dilan. Induction of ovulation in women with the following conditions: hypothalamic-pituitary dysfunction, including polycystic ovary syndrome (PCOS); induction of multiple follicles in women undergoing superovulation by assisted conception techniques such as in vitro fertilization (IVF).
UsesClomiphene Citrate is a hormonal drugs for the treatment of luteal insufficiency, anovulatory infertility, and functional uterine bleeding.
Suppliers15 total
Anhui Yiao New Material Technology Co., Ltd+86-18033737140 +86-17354101231 · [email protected]
重庆康洲智通医药科技有限公司173-08362167 17308362167 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Wuhan Nutra Biotechnology Co.,Ltd[email protected]
上海石洋化工有限公司+86-021-56795779 +86-13651600618 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…