Products Categories
| CAS No.: | 97752-20-0 |
|---|---|
| Name: | Droloxifene citrate |
| Molecular Structure: | |
|
|
| Formula: | C26H29NO2.C6H8O7 |
| Molecular Weight: | 579.64 |
| Synonyms: | (E)-(2-(4-(1-(3-Hydroxyphenyl)-2-phenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate;Droloxifene citrate [USAN];Phenol,3-[(1E)-1-[4-[2-(dimethylamino)ethoxy]- phenyl]-2-phenyl-1-butenyl]-,2-hydroxy-1,- 2,3-propanetricarboxylate (1:1) (salt);trans-1-(4-beta-Dimethylaminoethoxyphenyl)-1-(3-hydroxyphenyl)-2-phenylbut-1-ene citrate;(E)-alpha-(p-(2-(Dimethylamino)ethoxy)phenyl)-alpha-ethyl-3-stilbenol citrate (1:1) (salt);3-[(E)-1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenyl-but-1-enyl]phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid;(E)-alpha-(para-(2-(Dimethylamino)ethoxy)phenyl)-alpha-ethyl-3-stilbenol citrate (IUPAC);(E)-1-(4-(2-Dimethylaminoethoxy)phenyl)-1-(3-hydroxyphenyl)-2-phenylbut-1-ene citrate;Phenol, 3-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, (E)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt);3-Hydroxytamoxifen citrate; |
| EINECS: | 307-782-5 |
| Boiling Point: | 526.6 °C at 760 mmHg |
| Flash Point: | 272.3 °C |
| Appearance: | COA |
| PSA: | 164.83000 |
| LogP: | 4.45320 |
- 99170-93-1N-Methyl-2-oxazolamine
- 98020-47-46-Amino-5-nitro-2-thio-uracil
- 98025-62-8(5-METHYL-[1,3,4]THIADIAZOL-2-YL)-HYDRAZINE
- 99724-17-1Dimethyl-pyrrolidin-3-ylmethyl-amine
- 98084-25-4CESIUM TITANATE 99.9+%
- 98296-48-1GANODERIC ACID C2(SH)
- 99421-19-9ethyl 3-amino-6-chloro-5-cyano-2-methylisonicotinate
- 99689-20-02-Acetamido-3-O-(D-1-carboxyethyl)-2-deoxy-2-D-glucose Methyl Ester
- 98730-77-91-(hydroxymethyl)cyclopropanecarbonitrile
- 98546-54-43-bromo-5-methoxy-1,2-benzenediamine
- Total:19 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Droloxifene citrate is an organic compound with the formula C26H29NO2.C6H8O7. The IUPAC name of this chemical is 3-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]phenol; 2-hydroxypropane-1,2,3-tricarboxylic acid. With the CAS registry number 97752-20-0, it is also named as E)-1-[4'-(2-Dimethylaminoethoxy)phenyl]-1-(3-hydroxyphenyl)-2-phenylbut-1-ene Citrate. The product's classification codes are Antineoplastic; Tumor data.
Physical properties about Droloxifene citrate are: (1)ACD/LogP: 7.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.46; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 300.38; (6)ACD/BCF (pH 7.4): 10430.1; (7)ACD/KOC (pH 5.5): 322.76; (8) ACD/KOC (pH 7.4): 11207.37; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 21.7 Å2; (13)Flash Point: 272.3 °C; (14)Enthalpy of Vaporization: 83.11 kJ/mol; (15)Boiling Point: 526.6 °C at 760 mmHg; (16)Vapour Pressure: 1.05E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)(CC(=O)O)CC(=O)O.O(c1ccc(cc1)/C(c2cccc(O)c2)=C(\c3ccccc3)CC)CCN(C)C
(2)InChI: InChI=1/C26H29NO2.C6H8O7/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-16,19,28H,4,17-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;
(3)InChIKey: GTJXPMSTODOYNP-BTKVJIOYBW
(4)Std. InChI: InChI=1S/C26H29NO2.C6H8O7/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-16,19,28H,4,17-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;
(5)Std. InChIKey: GTJXPMSTODOYNP-BTKVJIOYSA-N