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| CAS No.: | 57773-63-4 |
|---|---|
| Name: | Triptorelin |
| Molecular Structure: | |
|
|
|
| Formula: | C64H82N18O13 |
| Molecular Weight: | 1311.45 |
| Synonyms: | Luteinizinghormone-releasing factor (pig), 6-D-tryptophan-;6-D-Tryptophan-LH-RH;AY25650;BIM 21003;CL 118532;D-Tryptophan6-LH-RH; |
| EINECS: | 637-328-4 |
| Density: | 1.52 g/cm3 |
| Appearance: | powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 60 |
| Safety: | 53-22-36/37/39-45 |
| PSA: | 487.92000 |
| LogP: | 3.20000 |
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Specification
1. Introduction of Triptorelin
Triptorelin has its systematic name of 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-tryptophyl-L-leucyl-L-arginyl-L-prolylglycinamide. And it belongs to the classes of Antineoplastic Agents; Contraceptive Agents; Luteolytic agents. And it should be stored in a airtight, cool and dry place.
2. Properties of Triptorelin
Physical properties about this chemical are: (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: 31; (7)#H bond donors: 20; (8)#Freely Rotating Bonds: 35; (9)Polar Surface Area: 288.39 Å2; (10)Index of Refraction: 1.723; (11)Molar Refractivity: 340.29 cm3; (12)Molar Volume: 858.4 cm3; (13)Polarizability: 134.9 ×10-24cm3; (14)Surface Tension: 69.4 dyne/cm; (15)Density: 1.52 g/cm3.
3. Structure Descriptors of Triptorelin
You could convert the following datas into the molecular structure:
(1)SMILES: O=C(N)CNC(=O)[C@H]8N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NC(=O)CC1)Cc2ncnc2)Cc4c3ccccc3nc4)CO)Cc5ccc(O)cc5)Cc7c6ccccc6nc7)CC(C)C)CCCNC( =[N@H])N)CCC8
(2)InChI: InChI=1/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)/t44-,45-,46-,47-,48+,49-,50-,51-,52-/m0/s1
(3)InChIKey: VXKHXGOKWPXYNA-PGBVPBMZBX
4. Safety Information of Triptorelin
When you are using this chemical, please be cautious about it as the following:
This chemical may impair fertility. You should avoid exposure - obtain special instruction before use. During using it, you should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
5. Use and Preparation of Triptorelin
Uses of Triptorelin: it is a gonadotropin-releasing hormone agonist (GnRH agonist) used at the acetate or pamoate salts. And it may be used in the treatment of hormone-responsive cancers such as prostate cancer or breast cancer, precocious puberty, estrogen-dependent conditions.