6-Acetylmorphine-N-methyl-d3 solution

CAT: 0024-sc-291168Size: 1 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-291168Size:1 mL

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CAS Number

136765-25-8

Chemical Information

6-Acetylmorphine-D3

CAS Number	136765-25-8
PubChem CID	46780039
IUPAC Name	[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
Molecular Formula	C19H21NO4
Molecular Weight	330.4
XLogP	1.3
Topological Polar Surface Area	59
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	592

SMILES

[2H]C([2H])([2H])N1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)OC(=O)C

InChI

InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1/i2D3

InChIKey

JJGYGPZNTOPXGV-VALGNVEGSA-N

Chemical Structure

2D Structure

CAS: 136765-25-8

CID: 46780039

Formula: C19H21NO4

MW: 330.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	330.4
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	330.16588839
Monoisotopic Mass	330.16588839
Topological Polar Surface Area	59 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	592
Isotope Atom Count	3
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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6-Acetylmorphine-N-methyl-d3 solution

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