Haemanthamine

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CAT#:1596-AR-L02161-05Size:150

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CAS Number

466-75-1

Synonyms

(3S,4aS,11bS,12R) -3-methoxy-3,4,4a,6-tetrahydro-11b,5-ethano[1,3]dioxolo[4,5-j]phenanthridin-12-ol; Haemanthamine

Molecular Formula

C17H19NO4

Molecular Weight

301.34

API Name

Lycorine

Chemical Information

Hemanthamine

Haemanthamine is an alkaloid.

CAS Number	466-75-1
PubChem CID	441593
IUPAC Name	(1S,13S,15S,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol
Molecular Formula	C17H19NO4
Molecular Weight	301.34
XLogP	1.3
Topological Polar Surface Area	51.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	497

SMILES

CO[C@H]1C[C@H]2[C@@]3(C=C1)[C@H](CN2CC4=CC5=C(C=C34)OCO5)O

InChI

InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1

InChIKey

YGPRSGKVLATIHT-HSHDSVGOSA-N

Chemical Structure

2D Structure

CAS: 466-75-1

CID: 441593

Formula: C17H19NO4

MW: 301.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	301.34
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	301.13140809
Monoisotopic Mass	301.13140809
Topological Polar Surface Area	51.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	497
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
GTR19205668	Haemanthamine
T73813-01	Haemanthamine hydrochloride
HY-114489B-01	Haemanthamine (hydrochloride)
MBS5766787	Haemanthamine hydrochloride (466-75-1 free base)