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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H42N4O6
Molecular Weight 650.7633
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Naloxonazine

SMILES

[H][C@@]12OC3=C(O)C=CC4=C3[C@@]15CCN(CC=C)[C@]([H])(C4)[C@]5(O)CC\C2=N/N=C6\CC[C@@]7(O)[C@@]8([H])CC9=C%10C(O[C@]6([H])[C@@]7%10CCN8CC=C)=C(O)C=C9

InChI

InChIKey=AJPSBXJNFJCCBI-YOHUGVJRSA-N
InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2/b39-23+,40-24+/t27-,28-,33+,34+,35+,36+,37-,38-/m1/s1

HIDE SMILES / InChI

Molecular Formula C38H42N4O6
Molecular Weight 650.7633
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
BW5W4K4S7Z
Record Status Validated (UNII)
Record Version