| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 12th, 2008 | 29 | No |
Popular Name: Clomiphene citrate Clomiphene citrate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15690-55-8 , 50-41-9 , 50-41-9, 911-45-5 [clomip , 50-41-9, 911-45-5 [clomiphene] , 911-45-5
(E)-2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine
(Z)-2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine
1-(p-(beta-Diethylaminoethoxy)-phenyl)-1,2-diphenylchloroethylene
15690-55-8; D09037; Zuclomiphene (USAN)
2-(4-(2-Chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine
2-(4-(2-Chloro-1,2-diphenylvinyl)-phenoxy)-N,N-diethylethanamine
2-(4-(2-Chloro-1,2-diphenylvinyl)phenoxy)-N,N-diethylethanamine
2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine
2-(p-(beta-Chloro-alpha-phenylstyryl)phenoxy)-triethylamine
2-(p-(beta-chloro-alpha-phenylstyryl)phenoxy)triethylamine
2-({4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl}oxy)-N,N-diethylethanamine
2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine
2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine
2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine
2-{4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy}-N,N-diethylethanamine
50-41-9; C08161; Clomifene citrate; Clomiphene citrate
50-41-9; CPD001317855; Clomid; SAM002699904
CHLORODIPHENYLVINYLPHENOXYETHYLDIETHYLAMINEHYDROXYPROPANETRICARBOXYLAT
CHLORODIPHENYLVINYLPHENOXYETHYLDIETHYLAMINEHYDROXYPROPANETRICARBOXYLICACIDSAL
cis-2-(4-(2-Chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine
cis-2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine
CPD001317855; Clomid; SAM002699904; Spectinomycin
Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-
Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-, (E)-
Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-, (Z)-
Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-
trans-2-(4-(2-Chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine
trans-2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine
Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-
Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, (E)-
Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, (Z)-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 6.53 | 16.33 | -34.91 | 1 | 2 | 1 | 14 | 406.977 | 9 | ↓ |
| Hi High (pH 8-9.5) | 6.53 | 13.83 | -5.01 | 0 | 2 | 0 | 12 | 405.969 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Estrogen/progestogen Receptor | Selleck Chemicals |
| Therapy | gonad stimulating principle | SMDC Iconix |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : MZ-3021; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 citric acid | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: MZ-3021; SALT: 1 citric acid; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| Purity | USP26 | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP-1-E | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.42 | Binding ≤ 10μM |
| KCNH2-2-E | HERG (cluster #2 Of 5), Eukaryotic | Eukaryotes | 182 | 0.33 | Binding ≤ 10μM |
| SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 5 | 0.40 | Binding ≤ 10μM |
| ERG2-2-F | C-8 Sterol Isomerase (cluster #2 Of 2), Fungal | Fungi | 2 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EBP_HUMAN | Q15125 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human | 2 | 0.42 | Binding ≤ 1μM |
| ERG2_YEAST | P32352 | C-8 Sterol Isomerase, Yeast | 2 | 0.42 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 181.970086 | 0.33 | Binding ≤ 1μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 5 | 0.40 | Binding ≤ 1μM |
| EBP_HUMAN | Q15125 | 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human | 2 | 0.42 | Binding ≤ 10μM |
| ERG2_YEAST | P32352 | C-8 Sterol Isomerase, Yeast | 2 | 0.42 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 181.970086 | 0.33 | Binding ≤ 10μM |
| SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 5 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cholesterol biosynthesis | |
| Voltage gated Potassium channels |
