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Crocetin (disodium)

CAT: 0804-HY-16502-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-16502-01Size:5 mg
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Description
Crocetin (Transcrocetin) disodium, extracted from saffron (Crocus sativus L.), acts as an NMDA receptor antagonist with high affinity.
CAS Number
591230-99-8
Product Name Alternative
Transcrocetin (disodium) ; trans-Crocetin (disodium)
UNSPSC
12352211
Hazard Statement
H302, H315, H319
Target
IGluR
Type
Natural Products
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/crocetin-disodium.html
Purity
99.30
Solubility
DMSO : < 1 mg/mL|H2O : ≥ 4.56 mg/mL
Smiles
O=C(O[Na])/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O[Na])=O
Molecular Formula
C20H22Na2O4
Molecular Weight
372.37
Precautions
H302, H315, H319
References & Citations
Crocus sativus L.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
NMDA Receptor

Chemical Information

Transcrocetinate sodium

Trans Sodium Crocetinate is the sodium salt of the trans-isomer of the carotenoid crocetin with potential antihypoxic and radiosensitizing activities. Trans sodium crocetinate (TSC) increases the diffusion rate of oxygen in aqueous solutions such as from plasma to body tissue. The agent has been shown to increase available oxygen during hypoxic and ischemic conditions that may occur in hemorrhage, vascular and neurological disorders, and in the tumor microenvionment.

CAS Number591230-99-8
PubChem CID10287099
IUPAC Namedisodium;(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
Molecular FormulaC20H22Na2O4
Molecular Weight372.4
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity597
SMILES
C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)[O-])/C)/C)/C=C/C=C(/C(=O)[O-])\C.[Na+].[Na+]
InChI
InChI=1S/C20H24O4.2Na/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24;;/h5-14H,1-4H3,(H,21,22)(H,23,24);;/q;2*+1/p-2/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+;;
InChIKey
RMDMBHQVNHQDDD-VFWKRBOSSA-L
Chemical Structure
2D Structure
2D structure of Transcrocetinate sodium
CAS: 591230-99-8
CID: 10287099
Formula: C20H22Na2O4
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass372.13134774
Monoisotopic Mass372.13134774
Topological Polar Surface Area80.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count7
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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