Puromycin dihydrochloride

Catalog Number	ACM58582-2
CAS Number	58-58-2
Structure
Description	Puromycin dihydrochloride (CL13900 dihydrochloride), an aminonucleoside antibiotic, inhibits protein synthesis.
Synonyms	CL13900 Dihydrochloride
Molecular Weight	544.43
Molecular Formula	C22H31Cl2N7O5
Canonical SMILES	OC[C@@H]1[C@@H](NC([C@@H](N)CC2=CC=C(OC)C=C2)=O)[C@H]([C@H](N3C=NC4=C3N=CN=C4N(C)C)O1)O.[H]Cl.[H]Cl
InChI	InChI=1S/C22H29N7O5.2ClH/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);2*1H/t14-,15+,16+,18+,22+;/m0./s1
InChI Key	MKSVFGKWZLUTTO-FZFAUISWSA-N
Melting Point	168-170 °C
Purity	99%+
Appearance	White to light yellow solid
Storage	4 °C, Sealed storage, away from moisture In solvent: -80 °C, 1 years; -20 °C, 6 months; (Sealed storage, away from moisture)
Complexity	680
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	5
Exact Mass	543.1763725
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
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.Cl.Cl
Monoisotopic Mass	543.1763725
PhysicalState	Powder
Rotatable Bond Count	8
Topological Polar Surface Area	161 Ų

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