Metaraminol bitatrate

CAT: 0926-FM183787-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FM183787-01Size:1 g

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CAS Number

33402-03-8

MDL Number

MFCD00238763

Smiles

[C@@H] ([C@H] (C) N) (O) C1=CC (O) =CC=C1.[C@@H] ([C@H] (C (O) =O) O) (C (O) =O) O

Molecular Formula

C13H19NO8

Molecular Weight

317.29 g/mol

Controlled

Chemical Information

Metaraminol Bitartrate

See also: Metaraminol (has active moiety).

CAS Number	33402-03-8
PubChem CID	441414
IUPAC Name	3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;(2R,3R)-2,3-dihydroxybutanedioic acid
Molecular Formula	C13H19NO8
Molecular Weight	317.29
Topological Polar Surface Area	182
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	274

SMILES

C[C@@H]([C@@H](C1=CC(=CC=C1)O)O)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C9H13NO2.C4H6O6/c1-6(10)9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-6,9,11-12H,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9-;1-,2-/m01/s1

InChIKey

VENXSELNXQXCNT-IJYXXVHRSA-N

Chemical Structure

2D Structure

CAS: 33402-03-8

CID: 441414

Formula: C13H19NO8

MW: 317.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.29
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	317.11106656
Monoisotopic Mass	317.11106656
Topological Polar Surface Area	182 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	274
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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