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141392-30-5 | Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-iodo-, (5α,6α)- (9CI)
CAS No: 141392-30-5 Catalog No: AG001GCN MDL No:
Product Description
Catalog Number:
AG001GCN
Chemical Name:
Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-iodo-, (5α,6α)- (9CI)
CAS Number:
141392-30-5
Molecular Formula:
C20H24INO3
Molecular Weight:
453.3139
IUPAC Name:
(4R,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-7-iodo-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
InChI:
InChI=1S/C20H24INO3/c21-13-5-6-20(24)15-9-12-3-4-14(23)17-16(12)19(20,18(13)25-17)7-8-22(15)10-11-1-2-11/h3-4,11,13,15,18,23-24H,1-2,5-10H2/t13-,15+,18-,19-,20+/m0/s1
InChI Key:
XEXVJJBUTPOPFH-LRLHPVAZSA-N
SMILES:
I[C@H]1CC[C@@]2([C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)CC2CC2)ccc1O)O
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
453.08g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
453.32g/mol
Monoisotopic Mass:
453.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Salvinorin A: allosteric interactions at the mu-opioid receptor. | The Journal of pharmacology and experimental therapeutics 20070201 |
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