4-Hydroxy Alverine-d5

CAT: 0024-sc-216852Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-216852Size:1 mg

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CAS Number

1216415-67-6

Chemical Information

4-Hydroxy Alverine-d5

CAS Number	1216415-67-6
PubChem CID	46781731
IUPAC Name	4-[3-[1,1,2,2,2-pentadeuterioethyl(3-phenylpropyl)amino]propyl]phenol
Molecular Formula	C20H27NO
Molecular Weight	302.5
XLogP	4.9
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Heavy Atom Count	22
Formal Charge	0
Complexity	267

SMILES

[2H]C([2H])([2H])C([2H])([2H])N(CCCC1=CC=CC=C1)CCCC2=CC=C(C=C2)O

InChI

InChI=1S/C20H27NO/c1-2-21(16-6-10-18-8-4-3-5-9-18)17-7-11-19-12-14-20(22)15-13-19/h3-5,8-9,12-15,22H,2,6-7,10-11,16-17H2,1H3/i1D3,2D2

InChIKey

LSJBZUMLJSLQMF-ZBJDZAJPSA-N

Chemical Structure

2D Structure

CAS: 1216415-67-6

CID: 46781731

Formula: C20H27NO

MW: 302.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.5
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	302.240648214
Monoisotopic Mass	302.240648214
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	267
Isotope Atom Count	5
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
sc-210047	4-Hydroxy Alverine
sc-217617	Alverine-d5 Citrate
sc-216851	4-Hydroxy Alverine β-D-Glucuronide
sc-491627	4′′-Hydroxy-cilostazol-d5
sc-216855	4-Hydroxy Atorvastatin Lactone-d5
sc-488640	Rac 4′-Hydroxy reboxetine-d5
sc-216855-CW	4-Hydroxy Atorvastatin Lactone-d5
sc-216863	4-Hydroxy Propafenone-d5 Hydrochloride
sc-216856-CW	4-Hydroxy Atorvastatin-d5 Disodium Salt
sc-489097	4-Hydroxy-3-nitrophenylacetic acid-d5

Catalog	Name
CS-O-01435	4-Hydroxy Alverine-d5
CS-P-07176	4-Hydroxy Alverine-d5 Hydrochloride
HY-132330S1-01	4-Hydroxy alverine-d5 (hydrochloride)
AR-A01792-01	4-Hydroxy Alverine-d5 HCl
HY-132330S	Para hydroxy alverine-d5
TRC-H827950-1MG	4-Hydroxy Alverine
CS-O-07149	4-Hydroxy Alverine Hydrochloride
AR-A01790-01	4-Hydroxy Alverine Glucuronide
AR-A01791-01	4-Hydroxy Alverine HCl
TRC-H827955-25MG	4-Hydroxy 3-Keto Alverine