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Cas Database |
| Name |
Achromycin |
EINECS | N/A |
| CAS No. | 53-79-2 | Density | 1.51 g/cm3 |
| PSA | 160.88000 | LogP | 0.29750 |
| Solubility | Soluble in water (50 mg/ml at 20°C). | Melting Point |
175.5-177° |
| Formula | C22H29 N7 O5 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 471.516 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion, intravenous, and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. An antibiotic. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | Toxic to living cells of all kinds. |
| Synonyms |
Adenosine,3'-(a-amino-p-methoxyhydrocinnamamido)-3'-deoxy-N,N-dimethyl-,L- (8CI); Adenosine,3'-[[2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3'-deoxy-N,N-dimethyl-,(S)-; 1-MM; 3123L; 3'-(a-Amino-p-methoxyhydrocinnamamido)-3'-deoxy-N,N-dimethyladenosine;6-Dimethylamino-9-[3-deoxy-3-(p-methoxy-L-phenylalanylamino)-b-D-ribofuranosyl]-b-purine; Achromycin; Achromycin(purine derivative); CL 13900; P 638; Puromycin; Stillomycin; Stylomycin; b-D-Ribofuranoside,6-(dimethylamino)-9H-purine-9 3-deoxy-3-[(4-methoxy-L-phenylalanyl)amino]- |
Article Data | 10 |
Achromycin Chemical Properties
IUPAC Name: (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-
yl]-3-(4-methoxyphenyl)propanamide
Molecular Weight: 471.50956 g/mol
Molecular Formula: C22H29N7O5
Density: 1.51 g/cm3
Molar Volume: 311.7 cm3
Polarizability: 47.79*10-24 cm3
Surface Tension: 61.1 dyne/cm
H-Bond Donor: 4
H-Bond Acceptor: 10
Rotatable Bond Count: 8
Tautomer Count: 2
Exact Mass: 471.223017
MonoIsotopic Mass: 471.223017
Topological Polar Surface Area: 161
Heavy Atom Count: 34
Complexity: 680
Defined Atom StereoCenter Count: 5
Canonical SMILES: CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O
Isomeric SMILES: CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O
InChI: InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1
InChIKey: RXWNCPJZOCPEPQ-NVWDDTSBSA-N
Achromycin Toxicity Data With Reference
| 1. | dnr-esc 100 µg/disc | CNREA8 Cancer Research. 34 (1974),1658. | ||
| 2. | cyt-dmg:oth 100 mg/L | CLDFAT Cell Differentiation. 2 (1973),97. | ||
| 3. | dni-oin:oth 100 mg/L | IJEBA6 Indian Journal of Experimental Biology. 16 (1978),1027. | ||
| 4. | dni-mus:lym 100 µmol/L | PLMEAA Planta Medica. 34 (1978),231. | ||
| 5. | dni-mus:fbr 420 µmol/L | JCLBA3 Journal of Cell Biology. 58 (1973),410. | ||
| 6. | orl-mus LD50:20 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds. 5 (1981),302. | ||
| 7. | ipr-mus LD50:25 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds. 5 (1981),302. | ||
| 8. | ivn-mus LD50:15 mg/kg | 85GDA2 CRC Handbook of Antibiotic Compounds. 5 (1981),302. |
Achromycin Safety Profile
Poison by ingestion, intravenous, and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. An antibiotic.
RIDADR: 3249
HazardClass: 6.1(b)
PackingGroup: III
Achromycin Specification
Achromycin (CAS NO.53-79-2) is also called (s)-3'-((2-Amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-n,n-dimethy;1-mm ; 3'-(Alpha-amino-p-methoxyhydrocinnamamido)-3'-deoxy-n,n-dimethyl-adenosinl ; 3'-(l-Alpha-amino-p-methoxyhydrocinnamamido)-3'-deoxy-n,n-dimethyladenosine ; 6-Dimethylamino-9-(3'-(p-methoxy-l-phenylalanylamino)-beta-d-ribofuranosyl)- ; ; Achromycin(purinederivative) . Achromycin (CAS NO.53-79-2) is high toxic. It is flammable by fire. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Achromycin (CAS NO.53-79-2) separate from oxidants and food additives .
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