3-Epigalanthamine acetate

CAT: 0024-sc-498508Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-498508Size:10 mg

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CAS Number

27281-90-9

Chemical Information

3-Epigalanthamine acetate

CAS Number	27281-90-9
PubChem CID	10426711
IUPAC Name	[(1S,12S,14S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] acetate
Molecular Formula	C19H23NO4
Molecular Weight	329.4
XLogP	2.4
Topological Polar Surface Area	48
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	535

SMILES

CC(=O)O[C@H]1C[C@H]2[C@@]3(CCN(CC4=C3C(=C(C=C4)OC)O2)C)C=C1

InChI

InChI=1S/C19H23NO4/c1-12(21)23-14-6-7-19-8-9-20(2)11-13-4-5-15(22-3)18(17(13)19)24-16(19)10-14/h4-7,14,16H,8-11H2,1-3H3/t14-,16+,19+/m1/s1

InChIKey

ZTWNMOVEDXUICV-ALKREAHSSA-N

Chemical Structure

2D Structure

CAS: 27281-90-9

CID: 10426711

Formula: C19H23NO4

MW: 329.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.4
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	329.16270821
Monoisotopic Mass	329.16270821
Topological Polar Surface Area	48 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	535
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-216470A	3-Indoxyl-3-acetate
sc-266851	3,3-Dimethylallyl acetate
sc-216470	3-Indoxyl-3-acetate
sc-256522	3-Mercaptohexyl acetate
sc-472184	3-Methoxybutyl Acetate
sc-460895	3-Methylhexyl Acetate
sc-209613	(3-Hydroxymandelonitrile) acetate
sc-470196	3-Methylpentyl Acetate
sc-256490	3-Chloropropyl acetate
sc-474025	Tylosin 3-Acetate

Catalog	Name
425419	3-Epigalanthamine acetate
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OR470599	3- (4-Piperidyl) propyl Acetate Acetate
PC8369	3,3-Difluoroallyl acetate
I-5600-01	3-Indoxyl-3-acetate
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