Esculamine

CAT: 0931-T201931-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T201931-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2908-75-0

Bioactivity

Esculamine is a compound known for its hemostatic, vasodilatory, and anti-inflammatory properties.

Smiles

O=C1OC2=C(C=C(O)C(O)=C2CN(CCO)CCO)C(=C1)C

Molecular Formula

C15H19NO6

Molecular Weight

309.32

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Esculamine

Esculamine is a small molecule drug. Esculamine has a monoisotopic molecular weight of 309.12 Da.

CAS Number	2908-75-0
PubChem CID	5359551
IUPAC Name	8-[[bis(2-hydroxyethyl)amino]methyl]-6,7-dihydroxy-4-methylchromen-2-one
Molecular Formula	C15H19NO6
Molecular Weight	309.31
XLogP	-0.4
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	420

SMILES

CC1=CC(=O)OC2=C(C(=C(C=C12)O)O)CN(CCO)CCO

InChI

InChI=1S/C15H19NO6/c1-9-6-13(20)22-15-10(9)7-12(19)14(21)11(15)8-16(2-4-17)3-5-18/h6-7,17-19,21H,2-5,8H2,1H3

InChIKey

VQSXXDXNONIOGW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2908-75-0

CID: 5359551

Formula: C15H19NO6

MW: 309.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.31
XLogP3	-0.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	309.12123733
Monoisotopic Mass	309.12123733
Topological Polar Surface Area	110 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	420
Isotope Atom Count	0
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
GTR19243224-01	Esculamine