![Chemical structure of Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-,2-hydroxy-1,2,3-propanetricarboxylate (1:1), CAS 50-41-9](https://api.angenesci.com/structure/1267/50-41-9.png)
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| CAS Number | 50-41-9 |
| Catalog Number | AG00I8WW(AGN-PC-0S8C80) |
| Chemical Name | Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-,2-hydroxy-1,2,3-propanetricarboxylate (1:1) |
| EC Number | 200-035-3 |
| IUPAC Name | 2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI | InChI=1S/C26H28ClNO.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25-; |
| InChI Key | PYTMYKVIJXPNBD-OQKDUQJOSA-N |
| MDL Number | MFCD00297406 |
| Molecular Formula | C32H36ClNO8 |
| Molecular Weight | 598.0831 |
| SMILES | Cl/C(C1=CC=CC=C1)=C(C2=CC=C(OCCN(CC)CC)C=C2)/C3=CC=CC=C3.O=C(CC(C(O)=O)(O)CC(O)=O)O |
| UNII | UY5X264QZV |
| Synonyms | Chloramiphene,
Citrate, Clomiphene,
Clomid,
Clomide,
Clomifen,
Clomifene,
Clomiphene,
Clomiphene Citrate,
Clomiphene Hydrochloride,
Clostilbegit,
Dyneric,
Gravosan,
Hydrochloride, Clomiphene,
Klostilbegit,
Serophene,
50-41-9,
Clomifene citrate,
CLOMIPHENE CITRATE,
Milophene,
Clomid,
cis-Clomiphene citrate,
Clomiphene A citrate,
Zuclomid,
Serophene,
Chloramiphene,
Clomifene citrate (Serophene),
(Z)-Clomiphene citrate,
UNII-UY5X264QZV,
Clostilbegyt,
RMI 16289,
Clomivid,
Clomphid,
Dyneric,
Genozym,
Ikaclomin,
2-(4-(2-Chloro-1,2-diphenylvinyl)phenoxy)-N,N-diethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate,
MFCD00058322,
7619-53-6,
NSC 151466,
Clomiphene citrate salt,
UY5X264QZV,
Fertivet,
Fertyl,
Clomiphene-R,
MRL 41,
RMI 16312,
Clomifen dihydrogen citrate,
Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, citrate (1:1), (Z)-,
EINECS 200-035-3,
Chloramiphene Citrate,
NSC 35770,
Triethylamine, 2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)-, citrate (1:1),
Ethanamine, 2-(4-((1Z)-2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1),
MER-41,
MRL-41,
Clomiphene citrate [USAN],
2-(p-(2-Chloro-1,2-diphenylvinyl)phenoxy)triethylamine citrate (1:1),
citro; clomifene,
1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-diphenyl-2-chloroethylene citrate,
citro; clomifenum,
citro; clomiphene,
2-Chloro-1-(p-(beta-diethylaminoethoxy)phenyl)-1,2-diphenylethylene citrate (1:1),
CAS-50-41-9,
Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1),
Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1),
AC1MHWEA,
Clomiphene citrate, cis-,
Clomid;Serophene;Milophene,
AC1Q74TX,
MLS001332629,
MLS002207099,
ARONIS23854,
SCHEMBL223472,
SPECTRUM1500196,
2-Chloro-1-(p-(beta-Diethylaminoethoxy)phenyl)-1,2-Diphenylethylene,
SGCUT00109,
(Z)-isomer, citrate (1:1),
2-(p-(2-Chloro-1,2-Diphenyl Vinyl)phenoxy)triethylamine Citrate (1:1),
CHEMBL1213137,
HMS501H04,
HMS1920O19,
HMS2091G06,
HMS2232D12,
Pharmakon1600-01500196,
BCP03057,
to_000032,
ZX-AS004359,
CCG-39553,
NSC-35770,
NSC151466,
NSC756698,
s2561,
SBB080555,
AKOS005111131,
BCP9000541,
DS-6814,
NSC-151466,
NSC-756698,
SB17214,
NCGC00017008-01,
NCGC00017008-02,
NCGC00017008-03,
NCGC00094626-01,
NCGC00094626-02,
NCGC00164385-01,
AC-19685,
AK140099,
CPD001317855,
SAM002699904,
SC-77377,
BCP0726000214,
AB0006636,
AB2000657,
LS-157237,
LS-157239,
ST2403913,
2-[4-(2-Chloro-1,2-diphenylvinyl)phenoxy,
SW196898-3,
C08161,
Triethylamine,2-diphenylvinyl)phenoxy]-, citrate,
SR-05000001591,
SR-05000001591-1,
Triethylamine,2-diphenylvinyl)phenoxy]-, citrate (1:1),
UNII-1B8447E7YI component PYTMYKVIJXPNBD-OQKDUQJOSA-N,
Triethylamine,2-diphenylvinyl)phenoxy]-, citrate (1:1), (Z)-,
(2)2-[p-(2-Chloro-1,2-diphenylvinyl)phenoxy]triethylamine citrate (1:1),
2-(4-[2-Chloro-1,2-Diphenylethenyl]Phenoxy)-N,N-Diethylethanamine Citrate salt,
2-(4-[2-Chloro-1,2-diphenylethenyl]phenoxy)-N,N-diethylethanamine, Clomiphene citrate salt,
(2-(4-[(Z)-2-CHLORO-1,2-DIPHENYLETHENYL]PHENOXY)ETHYL)DIETHYLAMINE, 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID,
{2-[4-((1Z)-2-chloro-1,2-diphenylvinyl)phenoxy]ethyl}diethylamine, 2-hydroxypr opane-1,2,3-tricarboxylic acid,
2-({4-[(Z)-2-chloro-1,2-diphenylethenyl]phenyl}oxy)-N,N-diethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate (salt),
2-[4-[(Z)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid,
2-[4-[2-chloro-1,2-di(phenyl)ethenyl]phenoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid,
Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1),
Ethanamine, 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (9CI),
Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-,2-hydroxy-1,2,3-propanetricarboxylate (1:1),
Ethanamine,2-diphenylethenyl)phenoxy]-N,N-diethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1),
Ethanamine,2-diphenylethenyl)phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1),
Clomifeno,
Omifin,
Zuclomiphene citrate,
Clostilbegyl,
Cyclolysal,
Ikaclomine,
Kyliformon,
Gravosan,
Pergotime,
Prolifen,
Serophene citrate,
Serpafar,
Tokormon,
Ardomon,
Indovar,
Siphene,
Pioner,
Clomifenecitrate,
Clomiphen-arcana,
Clomipheni citras,
Enclomiphene citrate,
Racemic clomiphene citrate,
Mer 41,
Clomiphene dihydrogen citrate,
clomifendihydrogencitrat-,
C26H28ClNO,
C26H28ClNO.C6H8O7,
MLS001332630,
UNII-1B8447E7YI,
CCRIS 8306,
Clomiphene citrate [USAN:USP],
NSC35770,
ACN-036243,
CID3033832,
CS-O-30819,
C26-H28-Cl-N-O.C6-H8-O7,
SMR000875221,
B1504,
A10230,
Triethylamine, 2-[p-(2-chloro-1,2-diphenylvinyl)phenoxy]-, citrate (1:1), (Z)-,
(Z)-2-(4-(2-chloro-1,2-diphenylvinyl)phenoxy)-N,N-diethylethan-1-amine 2-hydroxypropane-1,2,3-tricarboxylate,
{2-[4-(2-chloro-1,2-diphenylvinyl)phenoxy]ethyl}diethylamine 2-hydroxy-1,2,3-propanetricarboxylate (salt),
7599-79-3,
Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl) phenoxy]-N,N-diethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1),
Ethanamine, 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1),
|
| Complexity | 708 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 597.213g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 598.089g/mol |
| Monoisotopic Mass | 597.213g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 145A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H361-H360 |
| Packing Group | |
| Precautionary statements | P201-P202-P308+P313-P405-P501a-P280-P281 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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| Formula: | ||
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| Test: | Result: |

