Products Categories
| CAS No.: | 126-17-0 |
|---|---|
| Name: | Solasodine |
| Molecular Structure: | |
|
|
|
| Formula: | C27H43NO2 |
| Molecular Weight: | 413.644 |
| Synonyms: | Solasod-5-en-3b-ol (7CI,8CI);(3β,22α,25R)-Spirosol-5-en-3-ol;(-)-Solasodine;NSC 178260;NSC 179187;Purapuridine;Solancarpidine;Solasodin;Spirosol-5-en-3-ol, (3β,22α,25R)-; |
| EINECS: | 204-774-2 |
| Density: | 1.12 g/cm3 |
| Melting Point: | 284°C (dec.)(lit.) |
| Boiling Point: | 537.9 °C at 760 mmHg |
| Flash Point: | 279.1 °C |
| Safety: | 22-24/25 |
| PSA: | 41.49000 |
| LogP: | 5.61570 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 1415-78-7, 6159-99-5
solasodine-3β-acetate
- 126-17-0
solasodine
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide In methanol; dichloromethane at 20℃; for 3h; | 93% |
- 126-17-0
solasodine
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran at 70℃; Inert atmosphere; | 88% |
| With hydrogenchloride; water In ethanol for 2h; Reflux; |
- 1000612-48-5
C27H41N3O2
- 126-17-0
solasodine
| Conditions | Yield |
|---|---|
| Stage #1: C27H41N3O2 With chloro-trimethyl-silane; sodium iodide In acetonitrile at 20℃; for 2h; Stage #2: With sodium thiosulfate In water; acetonitrile Stage #3: With sodium hydroxide In water; acetonitrile pH=9; diastereoselective reaction; | 72% |
| Multi-step reaction with 2 steps 1: chloro-trimethyl-silane; sodium iodide / acetonitrile / 20 °C 2: sodium thiosulfate; sodium hydroxide / water; acetonitrile View Scheme |
- 6785-55-3
(22S,25R)-22,26-epiminocholest-5-ene-3β,16β-diol
A
- 17094-86-9
(25R)-22αN-spirosol-4-en-3-one
B
- 126-17-0
solasodine
| Conditions | Yield |
|---|---|
| With manganese(IV) oxide | A 12% B 68% |
| With manganese(IV) oxide In chloroform at 20℃; for 24h; | A 12% B 68% |
- 126-17-0
solasodine
| Conditions | Yield |
|---|---|
| Stage #1: C30H47NO5S With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 0.25h; Inert atmosphere; Stage #2: With oxygen In tetrahydrofuran; hexane at 20℃; for 3h; | 44% |
| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane In dichloromethane for 12h; Inert atmosphere; | 43% |
| Stage #1: C27H43NO2 With sodium thiosulfate; sodium hydroxide In water; acetonitrile Stage #2: In water; acetonitrile |
- 126-17-0
solasodine
| Conditions | Yield |
|---|---|
| With sodium; butan-1-ol for 24h; Reflux; | 40% |
- 129850-55-1
(22S,25R)-N-Chloro-22,26-epiminocholest-5-ene-3β,16α-diol
A
- 129938-55-2
25-Isoetioline
B
- 126-17-0
solasodine
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol for 2h; | A 27% B n/a |
- 122387-24-0
(25R)-3β-hydroxy-26-phthalimido-cholest-5-ene-16,22-dione
- 126-17-0
solasodine
| Conditions | Yield |
|---|---|
| Reaktion ueber mehrere Stufen; |
- 20311-51-7
solamargine
- 126-17-0
solasodine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; ethanol | |
| With hydrogenchloride | |
| (acid hydrolysis); |
- 341028-37-3Thiazolium,4,5-dimethyl-3-(2-oxo-2-phenylethyl)-, chloride (9CI)
- 7439-89-6Iron
- 479-66-31H,3H-Pyrano[4,3-b][1]benzopyran-9-carboxylicacid, 4,10-dihydro-3,7,8-trihydroxy-3-methyl-10-oxo-
- 182815-44-7Colesevelam hydrochloride
- 129-44-21,5-Diaminoanthraquinone
- 98-83-92-Phenyl-1-propene
- 89482-00-8Zaltoprofen
- 123-95-5Octadecanoicacid, butyl ester
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
What can I do for you?
Get Best Price
Specification
The Solasodine, with the CAS registry number 126-17-0, is also known as Spirosol-5-en-3-ol, (3β,22α,25R)-. It belongs to the product category of Alkaloids. Its EINECS number is 204-774-2. This chemical's molecular formula is C27H43NO2 and molecular weight is 413.64. What's more, its systematic name is (3β,22α,25R)-spirosol-5-en-3-ol. Its classification codes are: (1)Natural Product; (2)Reproductive Effect. It is a poisonous glycoalkaloid chemical compound that occurs in plants of the solanaceae family. It is commercially used as a precursor for the production of complex steroidal compounds such as contraceptive pills.When you use it ,please avoid contact with skin and eyes and do not breathe dust.
Physical properties of Solasodine are:
(1)ACD/LogP: 5.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 4.44; (5)ACD/BCF (pH 5.5): 20.11; (6)ACD/BCF (pH 7.4): 661.15; (7)ACD/KOC (pH 5.5): 45.91; (8)ACD/KOC (pH 7.4): 1509.67; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 121.27 cm3; (15)Molar Volume: 368.3 cm3; (16)Polarizability: 48.07×10-24cm3; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 279.1 °C; (20)Enthalpy of Vaporization: 93.71 kJ/mol; (21)Boiling Point: 537.9 °C at 760 mmHg; (22)Vapour Pressure: 8.21E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O[C@@H]6C/C5=C/C[C@@H]1[C@H](CC[C@]3([C@H]1C[C@@H]4O[C@@]2(NC[C@H](C)CC2)[C@H]([C@H]34)C)C)[C@@]5(C)CC6;
(2)Std. InChI: InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1;
(3)Std. InChIKey: KWVISVAMQJWJSZ-VKROHFNGSA-N.
The toxicity data of Solasodine is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | intraperitoneal | 103mg/kg (103mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED | Farmakologiya i Toksikologiya Vol. 37, Pg. 719, 1974. |
| hamster | LDLo | oral | 1200mg/kg (1200mg/kg) | Teratology, The International Journal of Abnormal Development. Vol. 17, Pg. 327, 1978. | |
| mouse | LD50 | intraperitoneal | 899mg/kg (899mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED | Pharmaceutical Chemistry Journal Vol. 11, Pg. 1095, 1977. |
| mouse | LD50 | oral | 27500ug/kg (27.5mg/kg) | Farmakologiya i Toksikologiya Vol. 24, Pg. 469, 1961. | |
| rat | LD50 | intraperitoneal | 396mg/kg (396mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED | Pharmaceutical Chemistry Journal Vol. 11, Pg. 1095, 1977. |
| rat | LD50 | oral | 4978mg/kg (4978mg/kg) | AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED | Pharmaceutical Chemistry Journal Vol. 11, Pg. 1095, 1977 |