(+/-) -Higenamine HCl - natural

CAT: 0926-XH163199-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-XH163199-01Size:10 mg

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CAS Number

11041-94-4

Smiles

C1CNC (C2=CC (=C (C=C21) O) O) CC3=CC=C (C=C3) O.Cl

Molecular Formula

C16H17NO3·HCl

Molecular Weight

307.77 g/mol

Controlled

Chemical Information

Higenamine hydrochloride

Demethylcoclaurine hydrochloride is a member of isoquinolines.

CAS Number	11041-94-4
PubChem CID	165901
IUPAC Name	1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
Molecular Formula	C16H18ClNO3
Molecular Weight	307.77
Topological Polar Surface Area	72.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	317

SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O.Cl

InChI

InChI=1S/C16H17NO3.ClH/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14;/h1-4,8-9,14,17-20H,5-7H2;1H

InChIKey

SWWQQSDRUYSMAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 11041-94-4

CID: 165901

Formula: C16H18ClNO3

MW: 307.77

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	307.77
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	307.0975211
Monoisotopic Mass	307.0975211
Topological Polar Surface Area	72.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	317
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
FH145240-01	Higenamine - natural
FH64906-01	(+/-) -Higenamine HCl - synthetic
BH300088	(+/-) -Higenamine HCl - synthetic - Bio-X TM
XH164059-01	(+/-) -Higenamine - synthetic
FEA99027-01	(S) - (-) -Higenamine hydrobromide
OH08129-01	Hesperidin (natural)
FV09779-01	Vanillin - natural
FC19672-01	Capsaicin - Natural
XG161401-01	Glucovanillin - Natural
FT28087-01	Tetrahydro curcumin - Natural