Texacromil

CAT: 0931-T202871-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T202871-02Size:50 mg

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

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CAS Number

77005-28-8

Bioactivity

Texacromil, patented by C. M. Industries S. A., is a benzochromene derivative used as an inhibitor of passive cutaneous anaphylaxis.

Smiles

O=C(O)C=1OC2=CC=CC(OCC(O)CSC)=C2C(=O)C1

Molecular Formula

C14H14O6S

Molecular Weight

310.32

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Texacromil

CAS Number	77005-28-8
PubChem CID	3086067
IUPAC Name	5-(2-hydroxy-3-methylsulfanylpropoxy)-4-oxochromene-2-carboxylic acid
Molecular Formula	C14H14O6S
Molecular Weight	310.32
XLogP	1.6
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	435

SMILES

CSCC(COC1=CC=CC2=C1C(=O)C=C(O2)C(=O)O)O

InChI

InChI=1S/C14H14O6S/c1-21-7-8(15)6-19-10-3-2-4-11-13(10)9(16)5-12(20-11)14(17)18/h2-5,8,15H,6-7H2,1H3,(H,17,18)

InChIKey

CMPCNRFIRDPVAN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77005-28-8

CID: 3086067

Formula: C14H14O6S

MW: 310.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	310.32
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	310.05110934
Monoisotopic Mass	310.05110934
Topological Polar Surface Area	118 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	435
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	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19241659-01	Texacromil