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Molecule
Tsh-Releasing Hormone
CAS: 24305-27-9 · C16H22N6O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24305-27-9
- Molecular Formula
- C16H22N6O4
- Molecular Mass
- 362.39 g/mol
Identifiers
CAS Registry Number
24305-27-9
SMILES
N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)N=C(O)[C@@H]1CCC(O)=N1
InChI Key
XNSAINXGIQZQOO-SRVKXCTJSA-N
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
Names and Synonyms
- Tsh-Releasing Hormone Synonym
- L-Prolinamide, 5-oxo-L-prolyl-L-histidyl- Synonym
- Thyrotropin-releasing factor Synonym
- 5-Oxo-L-prolyl-L-histidyl-L-prolinamide Synonym
- L-Pyroglutamyl-L-histidyl-L-prolinamide Synonym
- L-Pyroglutamyl-L-histidyl-L-proline amide Synonym
- Synthetic TRH Synonym
- Synthetic thyrotropin-releasing hormone Synonym
- (Pyro)-L-glutamic acid-L-histidine-L-proline-NH2 Synonym
- Synthetic TSH-releasing hormone Synonym
- Synthetic TSH-releasing factor Synonym
- Synthetic thyrotropin-releasing factor Synonym
- Lopremone Synonym
- FDA 1725 Synonym
- Synthetic TRF Synonym
- Protirelin Synonym
- TSH-releasing factor Synonym
- Thyroliberin Synonym
- TRH Synonym
- TRF Synonym
- Thyrotropin-releasing hormone Synonym
- Thyrotropic hormone-releasing factor Synonym
- TSH-releasing hormone Synonym
- Thyrotropic hormone-releasing hormone Synonym
- Thyrotropic-releasing factor Synonym
- TSH-RF Synonym
- Thyroid-stimulating hormone-releasing factor Synonym
- Thyrotropic releasing hormone Synonym
- Rifathyroin Synonym
- Ro 8-6270/9 Synonym
- Thyroid releasing hormone Synonym
- Relefact TRH Synonym
- Thyrefact Synonym
- Rifotironin Synonym
- Antepan Synonym
- Prem Synonym
- Thypinone Synonym
- Stimu TSH Synonym
- Abbott 38579 Synonym
- 83: PN: US20090175821 PAGE: 403 claimed protein Synonym
- 252: PN: WO2010033207 SEQID: 378 claimed protein Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 362.39 g/mol | CAS Common Chemistry |
| 362.39000000000016 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 |
| 0.9225 | RDKit | |
| Molar Refractivity | 94.31980000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5625 | RDKit |
| 0.56 | chempirical lib | |
| Exact Mass | 362.170253184 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 362.39 g/mol. Edit any field — others recompute live.
