Tena

HCID 5487601

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Basic information

CAS: 81919-18-8
Standard SMILES: Oc1ccc2c3c1O[C@H]1[C@H](NCCOCCOCCN[C@@H]4CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey: OPDFUQJBZZJZRG-WPJYNPJPSA-N
Molecular formula: C46H62N4O8
Average molar mass: 799 g/mol
Monoisotopic mass: 798.45676495

Names & identifiers

Preferred name: Tena
IUPAC: (4R,4aS,7R,7aR,12bS)-7-[2-[2-[2-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]ethoxy]ethoxy]ethylamino]-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
English name: 6,6'-(ethylenebis(oxyethyleneimino))bis(17-cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol
Molecular formula: C46H62N4O8
Molecular weight: 799.00648

Names & synonyms

TENA81919-18-81,8-Bis(beta-naltrexamino)-3,6-dioxaoctaneDTXSID8011043406,6'-(Ethylenebis(oxyethyleneimino))bis(17-cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol(4R,4aS,7R,7aR,12bS)-7-[2-[2-[2-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]ethoxy]ethoxy]ethylamino]-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol(5I+/-,6I(2))-(5a(2)I+/-,6a(2)I(2))-6,6a(2)-[1,2-Ethanediylbis(oxy-2,1-ethanediylimino)]bis[17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol]Morphinan-3,14-diol, 6,6'-(1,2-ethanediylbis(oxy-2,1-ethanediylimino))bis(17-(cyclopropylmethyl)-4,5-epoxy-, (5alpha,6beta)-(5'alpha,6'beta)-(5α,5'α,6β,6'β)-6,6'-[1,2-Ethanediylbis(oxy)bis(2,1-ethanediylimino)]bis[17-(cyclopropylmethyl)-4,5-epoxymorphinan-3,14-diol]

Database identifiers

CAS: 81919-18-8
PubChem CID: 5487601
DTXSID: DTXSID801104340
Nikkaji: J23.687J

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 148 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 12
Rotatable bonds: 15
Heavy atoms: 58
Formal charge: 0
Complexity: 1,430

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