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2-(9-Oxoxanthen-2-yl)propionic Acid 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Salt

2-(9-Oxoxanthen-2-yl)propionic Acid 1,5,7-Triazabicyclo[4.4.0]dec-5-ene Salt

Inquiry

Molecular Formula:

C23H25N3O4

Molecular Weight:

407.47

CAS Number:

1346753-09-0

Catalog Number:

1346753-09-0

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

Canonical 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.

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].

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

407.18450629 g/mol

Monoisotopic Mass

407.18450629 g/mol

Topological Polar Surface Area

91.2Å²

Heavy Atom Count

Formal Charge

Complexity

558

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
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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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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