Sodium Danshensu 100mg

CAT: 0628-A10853-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A10853-100Size:100 mg

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CAS Number

67920-52-9

Chemical Information

Npc102114

Sodium danshensu is a member of benzenes and a monocarboxylic acid.

CAS Number	67920-52-9
PubChem CID	23711819
IUPAC Name	sodium 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
Molecular Formula	C9H9NaO5
Molecular Weight	220.15
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	211

SMILES

C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+]

InChI

InChI=1S/C9H10O5.Na/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14;/h1-3,8,10-12H,4H2,(H,13,14);/q;+1/p-1

InChIKey

ZMMKVDBZTXUHFO-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 67920-52-9

CID: 23711819

Formula: C9H9NaO5

MW: 220.15

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	220.15
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	220.03476767
Monoisotopic Mass	220.03476767
Topological Polar Surface Area	101 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	211
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
A10853-200	Sodium Danshensu 200mg
A10853-5	Sodium Danshensu 5mg
A10853-50	Sodium Danshensu 50mg
A10853-25	Sodium Danshensu 25mg
A10853-10	Sodium Danshensu 10mg
A10853-10mM-D	Sodium Danshensu 10mM * 1mL in DMSO
A14779-10	Danshensu 10mg
A14779-5	Danshensu 5mg
A14779-25	Danshensu 25mg
A17918-100	Fondaparinux Sodium 100mg