IUPAC Name: (2S)-1-[[[(E)-[(4R,4aR,5aR,6S,12aR)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracen-2-ylidene]-hydroxymethyl]amino]methyl]pyrrolidine-2-carboxylic acid
Empirical Formula: C28H33N3O10
Molecular Weight: 571.5757g/mol
Index of Refraction: 1.726
Molar Refractivity: 140.37 cm3
Molar Volume: 352.8 cm3
Polarizability: 55.64×10-24cm3
Surface Tension: 98.6 dyne/cm
Density: 1.62 g/cm3
Flash Point: 446.3 °C
Enthalpy of Vaporization: 124.12 kJ/mol
Boiling Point: 814.4 °C at 760 mmHg
Vapour Pressure: 4.84E-28 mmHg at 25°C
Canonical SMILES: CC1(C2CC3C(C(=O)C(=C(NCN4CCCC4C(=O)O)O)C(=O)C3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)N(C)C)O
Isomeric SMILES: C[C@@]1([C@@H]2C[C@@H]3[C@H](C(=O)/C(=C(/NCN4CCC[C@H]4C(=O)O)\O)/C(=O)
[C@@]3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)N(C)C)O
InChI: InChI=1S/C28H33N3O10/c1-27(40)12-6-4-8-16(32)17(12)21(33)18-13(27)10-14-20(30(2)3)22(34)19(24(36)28(14,41)23(18)35)25(37)29-11-31-9-5-7-15(31)26(38)39/h4,6,8,13-15,20,29,32-33,37,40-41H,5,7,9-11H2,1-3H3,(H,38,39)/b25-19+/t13-,14-,15+,20-,27-,28-/m1/s1
InChIKey: SDVPUCSIJKFEHB-JHVVBUMPSA-N
Structure of Prolinomethyltetracycline (CAS NO.37106-99-3):
1. | ipr-rat LD50:115 mg/kg | JJANAX Japanese Journal of Antibiotics. 25 (1972),95. | ||
2. | scu-rat LD50:1733 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 6 (1972),51. | ||
3. | ivn-rat LD50:144 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 6 (1972),51. | ||
4. | ims-rat LD50:788 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 6 (1972),51. | ||
5. | ipr-mus LD50:353 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 6 (1972),51. | ||
6. | scu-mus LD50:1465 mg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 6 (1972),51. | ||
7. | ivn-mus LD50:85,100 µg/kg | KSRNAM Kiso to Rinsho. Clinical Report. 6 (1972),51. | ||
8. | ims-mus LD50:283 mg/kg | JJANAX Japanese Journal of Antibiotics. 24 (1971),156. |
Poison by intramuscular, intraperitoneal, and intravenous routes. Moderately toxic by subcutaneous route. Experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
Prolinomethyltetracycline its cas register number is 37106-99-3. It also can be called PM-TC ; L-Proline, 1-((((4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenyl)carbonyl)amino)methyl)-, (4S-(4-alpha,4a-alpha,5a-alpha,6-beta,12a-alpha))- . When heated to decomposition it emits toxic fumes of NOx. Wear suitable protective clothing and gloves when contact with Prolinomethyltetracycline (CAS NO.37106-99-3).
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