Hydroprotopine

CAT: 0013-GTR19159723-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19159723-01Size:100 mg

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Description

Hydroprotopine, treatment for coronary heart disease and angina, and the treatment effect is remarkable.

CAS Number

128397-41-1

Purity

>98% (HPLC)

Smiles

C[N+]12CCC3=CC4=C (C=C3C1 (CC5=C (C2) C6=C (C=C5) OCO6) O) OCO4

Molecular Formula

C20H20NO5+

Molecular Weight

354.38

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

Hydroprotopine

CAS Number	128397-41-1
PubChem CID	14140130
IUPAC Name	13-methyl-5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-1-ol
Molecular Formula	C20H20NO5+
Molecular Weight	354.4
XLogP	2.2
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	26
Formal Charge	1
Complexity	589

SMILES

C[N+]12CCC3=CC4=C(C=C3C1(CC5=C(C2)C6=C(C=C5)OCO6)O)OCO4

InChI

InChI=1S/C20H20NO5/c1-21-5-4-12-6-17-18(25-10-24-17)7-15(12)20(21,22)8-13-2-3-16-19(14(13)9-21)26-11-23-16/h2-3,6-7,22H,4-5,8-11H2,1H3/q+1

InChIKey

SZMZXQWCICMUFH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128397-41-1

CID: 14140130

Formula: C20H20NO5+

MW: 354.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.4
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	354.13414774
Monoisotopic Mass	354.13414774
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	26
Formal Charge	1
Complexity	589
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TBZ2839	Hydroprotopine