2-(9-Oxoxanthen-2-yl)propionic Acid 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Salt
Product Information
Molecular Formula
C23H25N3O4
Molecular Weight
407.47
Description
2-(9-Oxoxanthen-2-yl)propionic Acid 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Salt is a vital compound in medicinal concoction conceptualization, holds an intricate role within the realm of biomedicine. Acting as the foundation - playing out its part as a precursor, this compound decidedly steers forward drug development targeting the menacing cardiovascular diseases.
Synonyms
3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine; 2-(9-oxoxanthen-2-yl)propanoic acid; 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidine 2-(9-oxo-9H-xanthen-2-yl)propanoate; 2-(9-Oxoxanthen-2-yl)propionicAcid1,5,7-Triazabicyclo[4.4.0]dec-5-eneSalt
IUPAC Name
3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine2-(9-oxoxanthen-2-yl)propanoic acid
SMILES
CC(C1=CC2=C(C=C1)OC3=CC=CC=C3C2=O)C(=O)O.C1CNC2=NCCCN2C1
InChI
InChI=1S/C16H12O4.C7H13N3/c1-9(16(18)19)10-6-7-14-12(8-10)15(17)11-4-2-3-5-13(11)20-141-3-8-7-9-4-2-6-10(7)5-1/h2-9H,1H3,(H,18,19)1-6H2,(H,8,9)
InChI Key
NHCZYSDZAMNWGB-UHFFFAOYSA-N
Purity
>98.0%(HPLC)
Appearance
White to Almost white powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
407.18450629 g/mol
Monoisotopic Mass
407.18450629 g/mol
Topological Polar Surface Area
91.2Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
558
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2022077099-A1 | Composition for conductive adhesive, semiconductor package comprising cured product thereof, and method of manufacturing semiconductor package using the same | 2020-09-09 |
| JP-2020177923-A | Flexible light emitting device, lighting device and image display device | 2020-07-20 |
| JP-2021190554-A | Manufacturing method of thermoelectric conversion element and thermoelectric conversion element | 2020-05-29 |
| JP-2021172672-A | Photocurable composition | 2020-04-17 |
| JP-2021172673-A | Photocurable resin composition and liquid crystal display device using it | 2020-04-17 |
| JP-2021155540-A | Liquid crystal material composition and display device | 2020-03-26 |
| US-2021301206-A1 | Liquid crystal material composition and display device | 2020-03-26 |
| WO-2021193789-A1 | Optical member, and backlight unit and image display device using said optical member | 2020-03-26 |
| WO-2021193591-A1 | Optical laminate with double-sided adhesive layer, and optical device | 2020-03-24 |
| JP-2021147516-A | Method for Producing Polymerization Initiator Mixture, Polymerizable Composition, Cured Product, and Cured Product | 2020-03-19 |
