Catalog Number:
AG00BIQJ
Chemical Name:
6a-Naltrexol
CAS Number:
20410-98-4
Molecular Formula:
C20H25NO4
Molecular Weight:
343.4168
MDL Number:
MFCD18252438
IUPAC Name:
(4R,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
InChI:
InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15+,18-,19-,20+/m0/s1
InChI Key:
JLVNEHKORQFVQJ-SBCNTATESA-N
SMILES:
O[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O
