Deferasirox acyl-β-D-glucuronide

CAT: 0931-TSW-00695-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-TSW-00695-01Size:100 mg

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CAS Number

1233196-91-2

Bioactivity

Deferasirox acyl-β-D-glucuronide is a biochemical reagent used in glycobiology research. Glycobiology examines the structure, synthesis, biology, and evolution of sugars, involving carbohydrate chemistry, glycoconjugate formation and degradation enzymology, protein-glycan recognition, and the roles of glycans in biological systems. This field is closely linked to fundamental research, biomedicine, and biotechnology.

Smiles

OC1=C(C=CC=C1)C2=NC(C3=C(C=CC=C3)O)=NN2C4=CC=C(C=C4)C(O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)=O

Molecular Formula

C27H23N3O10

Molecular Weight

549.49

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Deferasirox acyl-beta-D-glucuronide

CAS Number	1233196-91-2
PubChem CID	135565398
IUPAC Name	(2S,3S,4S,5R,6S)-6-[4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Formula	C27H23N3O10
Molecular Weight	549.5
XLogP	2.2
Topological Polar Surface Area	205
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Heavy Atom Count	40
Formal Charge	0
Complexity	889

SMILES

C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O

InChI

InChI=1S/C27H23N3O10/c31-17-7-3-1-5-15(17)23-28-24(16-6-2-4-8-18(16)32)30(29-23)14-11-9-13(10-12-14)26(38)40-27-21(35)19(33)20(34)22(39-27)25(36)37/h1-12,19-22,27,31-35H,(H,36,37)/t19-,20-,21+,22-,27-/m0/s1

InChIKey

YSCGZJLIVXVFPM-AWZWVWSRSA-N

Chemical Structure

2D Structure

CAS: 1233196-91-2

CID: 135565398

Formula: C27H23N3O10

MW: 549.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	549.5
XLogP3	2.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	549.13834394
Monoisotopic Mass	549.13834394
Topological Polar Surface Area	205 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	889
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
GC7251-1mg	Deferasirox acyl-β-D-glucuronide
BICL4292-01	Deferasirox acyl-beta-D-glucuronide
MD46800-01	Deferasirox acyl-b-D-glucuronide
AR-D01351-01	Deferasirox Acyl beta-D-Glucuronide
TRC-D295555-25MG	Deferasirox 2-Glucuronide
AR-D05889-01	Deferasirox Impurity D
AR-D05897-01	Deferasirox BP Impurity D (Deferasirox Meta Isomer)
RM-A161912-01	Acetylsalicylic Acid Acyl-D-Glucuronide (Aspirin Acyl-D-Glucuronide)
GC5559-2mg	Dexibuprofen acyl-β-D-glucuronide
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Deferasirox acyl-β-D-glucuronide

Chemical Information

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