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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
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. |
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 (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 .