Protopine

CAT: 0926-FP44455-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-FP44455-02Size:5 mg

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CAS Number

130-86-9

MDL Number

MFCD00022322

Smiles

CN1CCC2=CC3=C (C=C2C (=O) CC4=C (C1) C5=C (C=C4) OCO5) OCO3

Molecular Formula

C20H19NO5

Molecular Weight

353.37 g/mol

Controlled

Chemical Information

Protopine

Protopine is a dibenzazecine alkaloid isolated from Fumaria vaillantii. It has a role as a plant metabolite.

CAS Number	130-86-9
PubChem CID	4970
IUPAC Name	15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaen-3-one
Molecular Formula	C20H19NO5
Molecular Weight	353.4
XLogP	2.8
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Heavy Atom Count	26
Formal Charge	0
Complexity	542

SMILES

CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3

InChI

InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3

InChIKey

GPTFURBXHJWNHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 130-86-9

CID: 4970

Formula: C20H19NO5

MW: 353.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.4
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	353.12632271
Monoisotopic Mass	353.12632271
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	542
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
FP30984-01	Protamine sulfate
FP47119-01	Protamine sulfate, ex salmon

Catalog	Name
SM4088-10mM	Protopine