Zuclomiphene
PubChem CID: 1548955
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| Compound Synonyms | Zuclomiphene, Clomifene, Zuclomifene, cis-Clomiphene, clomiphene, 15690-55-8, Cisclomifenum, cis-Clomifene, Zuclomiphene [USAN], CIS-CLOMIPHENE HCL, Transclomiphene, Zuclomifeno, 911-45-5, Clomiphene cis-form, Zuclomifenum [INN-Latin], Zuclomifene [INN], Zuclomifeno [INN-Spanish], Cisclomiphene, RMI-16312, 2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine, RMI 16,312, Zuclomiphene (USAN), ISOMER A, 3JU1DU3652, (Z)-2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine, RMI-16,312, CHEMBL167779, cis-2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine, CLOMIPHENE CIS-FORM [MI], DTXSID601317947, cis-2-(4-(2-Chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine, Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-, (Z)-, Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, (Z)-, Zuclomifenum (INN-Latin), Zuclomifeno (INN-Spanish), Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, Zuclomifenum, ETHANAMINE, 2-(4-((1Z)-2-CHLORO-1,2-DIPHENYLETHENYL)PHENOXY)-N,N-DIETHYL-, CAS-911-45-5, Clomiphene, Clomiphene B, 2-(4-(2-Chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine, DTXCID202843, UNII-3JU1DU3652, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine, 2-(4-((Z)-2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine, Clomiphene, 2, NCGC00179503-02, (E)-Clomiphene, trans-Clomiphene, Enclomifene, Clomid (Salt/Mix), Ardomon (Salt/Mix), Chlomaphene (Salt/Mix), Chloramifene (Salt/Mix), Spectrum5_000757, Chloramiphene (Salt/Mix), MRL-41 (Salt/Mix), SCHEMBL34894, BSPBio_002053, {2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]ethyl}diethylamine, 2-(4-[2-Chloro-1,2-diphenylethenyl]phenoxy)-N,N-diethylethanamine, BDBM71545, cid_3033832, DTXCID50206737, CHEBI:177766, BDBM430640, BCP27849, HY-A0287, HY-B1617, Tox21_113110, AKOS016010299, Tox21_113110_1, AT36987, IDI1_000462, QTL1_000019, Cisclomifenum, cis-Clomiphene, Zuclomifene, NCGC00164385-02, NCGC00164385-03, NCGC00164385-05, NCGC00164385-06, SBI-0051318.P003, CS-0013550, CS-0019859, NS00008654, D09037, AB00053440-08, AB00053440_09, AB00053440_10, EN300-7479238, BRD-K29950728-048-02-6, BRD-K29950728-048-08-3, BRD-K29950728-048-16-6, BRD-K29950728-048-17-4, BRD-K29950728-048-18-2, BRD-K91328526-048-01-4, Q27257344, (2-{4-[(E)-2-chloro-1,2-diphenylvinyl]phenoxy}ethyl)diethylamine, (Z)-2-(p-(2-Chloro-1,2-Diphenylvinyl)phenoxy)triethylamine Citrate, 1-(p-(.beta.-Diethylaminoethoxy)-phenyl)-1,2-diphenylchloroethylene, 2-(4-(2-Chloro-1,2-diphenylvinyl)-phenoxy)-N,N-diethylethanamine, 2-(p-(.beta.-Chloro-.alpha.-phenylstyryl)phenoxy)-triethylamine, (Z)-2-(4-(2-chloro-1,2-diphenylvinyl)phenoxy)-N,N-diethylethan-1-amine, 2-({4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl}oxy)-N,N-diethylethanamine, 2-[4-[(Z)-2-chloro-1,2-diphenyl-vinyl]phenoxy]-N,N-diethyl-ethanamine, 2-[4-[(Z)-2-chloro-1,2-diphenyl-vinyl]phenoxy]ethyl-diethyl-amine, citric acid, 2-[4-[(Z)-2-chloranyl-1,2-diphenyl-ethenyl]phenoxy]-N,N-diethyl-ethanamine, 2-oxidanylpropane-1,2,3-tricarboxylic acid |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P49884, Q15125, Q99720, P32352, Q12809, O75874 |
| Iupac Name | 2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine |
| Prediction Hob | 1.0 |
| Target Id | NPT4110, NPT296, NPT98, NPT861 |
| Xlogp | 7.2 |
| Molecular Formula | C26H28ClNO |
| Prediction Swissadme | 0.0 |
| Inchi Key | GKIRPKYJQBWNGO-QPLCGJKRSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -5.603 |
| Rotatable Bond Count | 9.0 |
| Logd | 5.159 |
| Compound Name | Zuclomiphene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 405.186 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 405.186 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 406.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.783518144827587 |
| Inchi | InChI=1S/C26H28ClNO/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/h5-18H,3-4,19-20H2,1-2H3/b26-25- |
| Smiles | CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juncus Effusus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all