Rauwolscine

CAT: 0607-BA5137-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5137-1Size:1 mg

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CAS Number

131-03-3

Form

A solid

Molecular Formula

C21H26N2O3

Molecular Weight

354.44

Shipping Conditions

Blue ice

Storage Conditions

-20°C, protect from light.

Chemical Information

Rauwolscine

Rauwolscine is a methyl 17-hydroxy-20xi-yohimban-16-carboxylate.

CAS Number	131-03-3
PubChem CID	643606
IUPAC Name	methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular Formula	C21H26N2O3
Molecular Weight	354.4
XLogP	2.9
Topological Polar Surface Area	65.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	555

SMILES

COC(=O)[C@@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O

InChI

InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1

InChIKey

BLGXFZZNTVWLAY-DIRVCLHFSA-N

Chemical Structure

2D Structure

CAS: 131-03-3

CID: 643606

Formula: C21H26N2O3

MW: 354.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	354.4
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	354.19434270
Monoisotopic Mass	354.19434270
Topological Polar Surface Area	65.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	555
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5750546	Rauwolscine Hydrochloride
AR-Y01017-01	Rauwolscine HCl
MBS387820-01	Rauwolscine
A13426-250	Rauwolscine 250mg
A13426-500	Rauwolscine 500mg
A13426-50	Rauwolscine 50mg
sc-200151	Rauwolscine • HCl
HY-12710A	Rauwolscine (hydrochloride)
464543-01	Rauwolscine dot HCl
A13426-10mM-D	Rauwolscine 10mM * 1mL in DMSO

Rauwolscine

Chemical Information

Alternative Products

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