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CAS No.: | 841-67-8 |
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Name: | (-)-THALIDOMIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C13H10N2O4 |
Molecular Weight: | 258.233 |
Synonyms: | 1H-Isoindole-1,3(2H)-dione,2-(2,6-dioxo-3-piperidinyl)-, (S)-;Phthalimide, N-(2,6-dioxo-3-piperidyl)-,L-(-)- (8CI);(-)-Thalidomide;(S)-(-)-Thalidomide;(S)-Thalidomide;NSC 91730;S-(L)-Thalidomide;Thalidomide, L-; |
EINECS: | 200-031-1 |
Density: | 1.503 g/cm3 |
Melting Point: | 269-271 °C |
Boiling Point: | 509.7 °C at 760 mmHg |
Flash Point: | 262.1 °C |
Solubility: | soluble in DMSO |
Appearance: | Needles |
Hazard Symbols: | T |
Risk Codes: | 61-22 |
Safety: | 53-36/37/39-45 |
PSA: | 83.55000 |
LogP: | 0.35450 |
The 1H-Isoindole-1,3(2H)-dione,2-[(3S)-2,6-dioxo-3-piperidinyl]-, with the CAS registry number 841-67-8, is also known as (-)-Thalidomide. It belongs to the product categories of Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 200-031-1. This chemical's molecular formula is C13H10N2O4 and molecular weight is 258.25. What's more, its systematic name is 2-[(3S)-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione. Its classification code is Reproductive Effect.
Physical properties of 1H-Isoindole-1,3(2H)-dione,2-[(3S)-2,6-dioxo-3-piperidinyl]- are: (1)ACD/LogP: 0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 1.52; (6)ACD/BCF (pH 7.4): 1.52; (7)ACD/KOC (pH 5.5): 46.9; (8)ACD/KOC (pH 7.4): 46.87; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.76 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 62.35 cm3; (15)Molar Volume: 171.7 cm3; (16)Polarizability: 24.71×10-24cm3; (17)Surface Tension: 69.9 dyne/cm; (18)Density: 1.503 g/cm3; (19)Flash Point: 262.1 °C; (20)Enthalpy of Vaporization: 78.04 kJ/mol; (21)Boiling Point: 509.7 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful in contact with skin. It may cause harm to the unborn child. It should be avoided exposure, and you need obtain special instructions before use. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3NC(=O)CC[C@@H]3N1C(=O)c2ccccc2C1=O
(2)InChI: InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m0/s1
(3)InChIKey: UEJJHQNACJXSKW-VIFPVBQESA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 700mg/kg (700mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Nature. Vol. 215, Pg. 296, 1967. |