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| CAS No.: | 51110-01-1 |
|---|---|
| Name: | Somatostatin |
| Molecular Structure: | |
 |
|
| Formula: | C76H104N18O19S2 |
| Molecular Weight: | 1637.89 |
| Synonyms: | AY 24910;Aminopan;GH-RIF;Growth hormone release-inhibiting factor;Growth hormonerelease-inhibiting hormone;Panhibin;SIF;SRIF;SRIF 14;Somatostatin-14;Somatotropin release-inhibiting factor;Somatotropin release-inhibitinghormone;Somiaton;Somatostatin-14 (reduced); |
| EINECS: | 256-969-7 |
| Density: | 1.43 g/cm3 |
| Boiling Point: | 1970.9 °C at 760 mmHg |
| Flash Point: | 1145.7 °C |
| Solubility: | H2O: 1 mg/mL |
| Appearance: | powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 663.83000 |
| LogP: | 2.28620 |
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Specification
The Somatostatin 14, with the CAS registry number 51110-01-1, is also known as Somatotropin release-inhibiting factor. It belongs to the product categories of Peptide; Somatostatin Receptor. Its EINECS registry number is 254-186-5. This chemical's molecular formula is C76H104N18O19S2 and molecular weight is 1637.88. Its systematic name is called (4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxo-ethyl)-37-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-13,25,28-tribenzyl-10,16-bis(1-hydroxyethyl)-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid. This chemical's classification codes are Hormones; Hormones, Hormone Substitutes, and Hormone Antagonists. This chemical is used as part of growth hormone release inhibiting hormone.
Physical properties of Somatostatin 14: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 37; (7)#H bond donors: 26; (8)#Freely Rotating Bonds: 32; (9)Index of Refraction: 1.669; (10)Molar Refractivity: 427.42 cm3; (11)Molar Volume: 1144.2 cm3; (12)Surface Tension: 84.7 dyne/cm; (13)Density: 1.43 g/cm3; (14)Flash Point: 1145.7 °C; (15)Enthalpy of Vaporization: 341.99 kJ/mol; (16)Boiling Point: 1970.9 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C6N[C@@H](CC(=O)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc4cnc3ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(O)C)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CSSC [C@H](NC(=O)CNC(=O)[C@H](C)N)C(=O)N[C@H]6CCCCN)C(=O)O)C(O)C
(2)InChI: InChI=1/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42?,43?,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
(3)InChIKey: NHXLMOGPVYXJNR-UYURUMNQBW
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 33mg/kg (33mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toxicology Letters. Vol. 17, Pg. 145, 1983. |
| rat | LD50 | intravenous | 21mg/kg (21mg/kg) | BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Toxicology Letters. Vol. 17, Pg. 145, 1983. |