基本情報
- CAS
43054-45-1- 標準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- 分子式
- C32H36ClNO8
- 平均分子量
- 598.1 g/mol
- 単同位体質量
- 597.2129448
概要
Clomiphene Citrate can cause cancer and developmental toxicity according to state or federal government labeling requirements.
名称と識別子
- 優先名称
- Clostilbegit
- IUPAC
- 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
- 英語名
- Clomiphene Citrate
- 分子式
- C26H28ClNO.C6H8O7
- 分子量
- 598.088
名称と別名
CLOMIPHENE CITRATEClomifene citrate50-41-9ClostilbegytIkaclomineMilophenePergotimeClomifeni citrasClomphidIkaclomin43054-45-11B8447E7YI
名称をさらに表示
Testosterone Undecanteclomifene dihydroen citrate
NSC-35770MER-41MRL-412-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1)ClostilbegitClopheneNSC35770Clomiphene Citrtae
データベース識別子
- CAS
43054-45-1、50-41-9- PubChem CID
- 60974
- DTXSID
DTXSID8020337- ChEMBL
CHEMBL3185958- EC Number
- 200-035-3
物性
構造計算による物性
- 極性表面積
- 145 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 9
- 回転可能結合数
- 14
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 708
実験および物理化学的性質
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Endocrine DisruptorsPotential endocrine disrupting compound
物理化学的性質
- 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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
毒性情報
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
化学と産業
薬理情報
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)
サプライヤー15 社
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]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…