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Tsh-Releasing Hormone
CAS: 24305-27-9 | C16H22N6O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24305-27-9
Molecular Formula:
C16H22N6O4
Molecular Mass:
362.39 g/mol
Names and Synonyms:
Tsh-Releasing Hormone
L-Prolinamide, 5-oxo-L-prolyl-L-histidyl-
Thyrotropin-releasing factor
5-Oxo-L-prolyl-L-histidyl-L-prolinamide
L-Pyroglutamyl-L-histidyl-L-prolinamide
L-Pyroglutamyl-L-histidyl-L-proline amide
Synthetic TRH
Synthetic thyrotropin-releasing hormone
(Pyro)-L-glutamic acid-L-histidine-L-proline-NH2
Synthetic TSH-releasing hormone
Synthetic TSH-releasing factor
Synthetic thyrotropin-releasing factor
Lopremone
FDA 1725
Synthetic TRF
Protirelin
TSH-releasing factor
Thyroliberin
TRH
TRF
Thyrotropin-releasing hormone
Thyrotropic hormone-releasing factor
TSH-releasing hormone
Thyrotropic hormone-releasing hormone
Thyrotropic-releasing factor
TSH-RF
Thyroid-stimulating hormone-releasing factor
Thyrotropic releasing hormone
Rifathyroin
Ro 8-6270/9
Thyroid releasing hormone
Relefact TRH
Thyrefact
Rifotironin
Antepan
Prem
Thypinone
Stimu TSH
Abbott 38579
83: PN: US20090175821 PAGE: 403 claimed protein
252: PN: WO2010033207 SEQID: 378 claimed protein
Identifiers:
SMILES:
N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)N=C(O)[C@@H]1CCC(O)=N1
InChI:
InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 362.39 g/mol | CAS Common Chemistry |
| 362.39000000000016 g/mol | RDKit | |
| 362.170253184 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1N(C(=O)C(NC(=O)C2NC(=O)CC2)CC3=CN=CN3)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XNSAINXGIQZQOO-SRVKXCTJSA-N | CAS Common Chemistry |
| Name | TSH-releasing hormone | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 158.25 Ų | RDKit |
| LogP | 0.9224699999999995 | RDKit |
| Molar Refractivity | 94.31980000000006 | RDKit |
