Deserpidine

CAT: 0013-GTR19167161-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19167161-01Size:1 mg

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Description

Deserpidine

CAS Number

131-01-1

Product Name Alternative

Reserpine, tranquilizer, cortex, Deserpidine, Angiotensin-converting Enzyme (ACE), antihypertensive, ACE, Alkaloid, adrenal, inhibit, Harmonyl, Inhibitor

Field of Research

Metabolism Research, Pharmacology & Drug Discovery

Purity

98.13% (May vary between batches)

Solubility

DMSO:100 mg/mL (172.82 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (6.91 mM)

Smiles

C (OC) (=O) [C@H]1[C@]2 (C[C@@]3 (C4=C (C=5C (N4) =CC=CC5) CCN3C[C@]2 (C[C@@H] (OC (=O) C6=CC (OC) =C (OC) C (OC) =C6) [C@@H]1OC) [H]) [H]) [H]

Molecular Formula

C32H38N2O8

Molecular Weight

578.65

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Deserpidine

Deserpidine is a methyl ester, a yohimban alkaloid, a benzoate ester, an organic heteropentacyclic compound and an alkaloid ester. It derives from a hydride of a yohimban.

CAS Number	131-01-1
PubChem CID	8550
IUPAC Name	methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular Formula	C32H38N2O8
Molecular Weight	578.7
XLogP	4.1
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Heavy Atom Count	42
Formal Charge	0
Complexity	953

SMILES

CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=CC=CC=C45)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

InChI

InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1

InChIKey

CVBMAZKKCSYWQR-WCGOZPBSSA-N

Chemical Structure

2D Structure

CAS: 131-01-1

CID: 8550

Formula: C32H38N2O8

MW: 578.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	578.7
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	578.26281617
Monoisotopic Mass	578.26281617
Topological Polar Surface Area	109 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	953
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
GTR19194733	Deserpideine

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Catalog	Name
D289420	Deserpidine
HY-107339A	Deserpidine (hydrochloride)
TRC-D289422-50MG	Deserpidine-d9
HY-107339R	Deserpidine (Standard)
T71787-01	Deserpidine hydrochloride

Deserpidine

Chemical Information

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