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| CAS No.: | 299-20-7 |
|---|---|
| Name: | etamycin |
| Molecular Structure: | |
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| Formula: | C44H62 N8 O11 |
| Molecular Weight: | 879.14 |
| Synonyms: | Etamycin(7CI); Viridogrisein (6CI);1H-Pyrrolo[2,1-o][1,4,7,10,13,16,19]oxahexaazacyclodocosine, cyclic peptidederiv.; Glycine,N-[N-[N-[N-[cis-4-hydroxy-1-[N-[N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl]-D-leucyl]-D-prolyl]-N-methylglycyl]-N,4-dimethyl-L-isoleucyl]-L-alanyl]-N-methyl-L-2-phenyl-,u-lactone;N-[N-[N-[N-[cis-4-Hydroxy-1-[N-[N-[(3-hydroxy-2-pyridinyl)carbonyl]-L-threonyl]-D-leucyl]-D-prolyl]-N-methylglycyl]-N,4-dimethyl-L-isoleucyl]-L-alanyl]-N-methyl-L-2-phenylglycineu-lactone; Neoviridogrisein IV;Viridogrisein I |
| Density: | 1.31g/cm3 |
| Melting Point: | 168-170 °C (decomp) |
| Boiling Point: | 1213.8°C at 760 mmHg |
| Flash Point: | 687.9°C |
| Hazard Symbols: | Moderately toxic by ingestion. |
| Safety: | A poison by intraperitoneal, subcutaneous, and intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx. |
| PSA: | 248.19000 |
| LogP: | 1.40560 |
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Chemistry
Molecule structure of Etamycin (CAS NO.299-20-7) :
IUPAC Name: 3-hydroxy-N-[(3R,6S,7R,10S,13S,22R,24R)-24-hydroxy-7,11,13,17,20-pentamethyl-16-[(2S)-3-methylbutan-2-yl]-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
Molecular Weight: 879.01008 g/mol
Molecular Formula: C44H62N8O11
Density: 1.31 g/cm3
Boiling Point: 1213.8 °C at 760 mmHg
Flash Point: 687.9 °C
Index of Refraction: 1.606
Molar Refractivity: 229.95 cm3
Molar Volume: 665.9 cm3
Polarizability: 91.16*10-24 cm3
Surface Tension: 65.9 dyne/cm
Enthalpy of Vaporization: 188.87 kJ/mol
XLogP3-AA: 3.2
H-Bond Donor: 5
H-Bond Acceptor: 12
Rotatable Bond Count: 7
Tautomer Count: 28
Exact Mass: 878.453805
MonoIsotopic Mass: 878.453805
Topological Polar Surface Area: 248
Heavy Atom Count: 63
Complexity: 1670
Isomeric SMILES: C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@@H]2C(=O)N(CC(=O)N(C(C(=O)N[C@H](C(=O)N([C@H](C(=O)O1)C3=CC=CC=C3)C)C)[C@@H](C)C(C)C)C)C)O)CC(C)C)NC(=O)C4=C(C=CC=N4)O
InChIKey of Etamycin (CAS NO.299-20-7) : SATIISJKSAELDC-PTHMJROFSA-N
Toxicity Data With Reference
| 1. | orl-mus LD50:>3 g/kg ABANAE 2,728,1954/1955 | |||
| 2. | ipr-mus LD50:274 mg/kg ABANAE 2,728,1954/1955 | |||
| 3. | scu-mus LD50:125 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds, Volumes 1-9. 4 (2)(1980),141. | ||
| 4. | ivn-mus LD50:36 mg/kg ABANAE 2,733,1954/1955 | |||
| 5. | orl-dog LDLo:1 g/kg ABANAE 2,733,1954/1955 | |||
| 6. | orl-rbt LD50:>4 g/kg ABANAE 2,733,1954/1955 |
Safety Profile
A poison by intraperitoneal, subcutaneous, and intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
Specification
Etamycin (CAS NO.299-20-7) is also called 4-27-00-09723 (Beilstein Handbook Reference) ; Antibiotic F-1370A ; Antibiotic K-179 ; BRN 0078383 ; Etamycin A ; Neoviridogrisein IV ; Viridogrisein ; Viridogrisein I .