Cas no 66866-63-5 (Lutrelin)
Lutrelin structure
Product Name:Lutrelin
CAS No:66866-63-5
MF:C65H85N17O12
MW:1296.47711348534
CID:964804
PubChem ID:25077592
Update Time:2025-04-19
Lutrelin Chemical and Physical Properties
Names and Identifiers
-
- Lutrelin
- 5-Oxo-L-Pro-L-His-L-Trp-L-Ser-L-Tyr-D-Trp-N-methyl-L-Leu-L-Arg-L-Pro-ethyl-NH2
- lutrelin acetate
- SCHEMBL604264
- Lutrelinum [Latin]
- Lutrelina
- Wy 40972; Wyeth 40972
- deslorelin 7NMeLeu
- QH51543Y7U
- NS00126904
- 66866-63-5
- CHEMBL2370578
- Wyeth 40972
- Lutrelinum
- D-Trp(sup 6)-(N)Me-leu(sup 7)-des-gly(sup 10)-pro(sup 9)-LHRH ethylamide
- Lutreline
- Lutrelina [Spanish]
- Lutreline [French]
- WY 40,972
- Q27287261
- Lutrelin [INN]
- UNII-QH51543Y7U
- BDBM84715
- 5-OXO-L-PROLYL-L-HISTIDYL-L-TRYPTOPHYL-L-SERYL-L-TYROSYL-D-TRYPTOPHYL-N-METHYL-L-LEUCYL-L-ARGINYL-N-ETHYL-L-PROLINAMIDE
-
- Inchi： 1S/C65H85N17O12/c1-5-69-61(91)53-17-11-25-82(53)64(94)47(16-10-24-70-65(66)67)75-62(92)54(26-36(2)3)81(4)63(93)51(29-39-32-72-45-15-9-7-13-43(39)45)79-57(87)48(27-37-18-20-41(84)21-19-37)76-60(90)52(34-83)80-58(88)49(28-38-31-71-44-14-8-6-12-42(38)44)77-59(89)50(30-40-33-68-35-73-40)78-56(86)46-22-23-55(85)74-46/h6-9,12-15,18-21,31-33,35-36,46-54,71-72,83-84H,5,10-11,16-17,22-30,34H2,1-4H3,(H,68,73)(H,69,91)(H,74,85)(H,75,92)(H,76,90)(H,77,89)(H,78,86)(H,79,87)(H,80,88)(H4,66,67,70)/t46-,47-,48-,49-,50-,51+,52-,53-,54-/m0/s1
- InChI Key： YGGIRYYNWQICCP-LDRBRYNMSA-N
- SMILES： O=C([C@H](CCC/N=C(\N)/N)NC([C@H](CC(C)C)N(C)C([C@@H](CC1=CNC2C=CC=CC1=2)NC([C@H](CC1C=CC(=CC=1)O)NC([C@H](CO)NC([C@H](CC1=CNC2C=CC=CC1=2)NC([C@H](CC1=CN=CN1)NC([C@@H]1CCC(N1)=O)=O)=O)=O)=O)=O)=O)=O)N1CCC[C@H]1C(NCC)=O
Computed Properties
- Exact Mass: 1295.66000
- Monoisotopic Mass: 1295.656361
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 15
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 94
- Rotatable Bond Count: 32
- Complexity: 2640
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 439
- XLogP3: 1.3
Experimental Properties
- Density: 1.46
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.701
- PSA: 436.04000
- LogP: 3.98560
Lutrelin Related Literature
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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