Narcotin L-α-Narcotin

Nocotine structural formula

Structural formula

Business number 03LN
Molecular formula C22H23NO7
Molecular weight 413.42
label

aromatic compounds

Numbering system

CAS number:128-62-1

MDL number:MFCD00069316

EINECS number:204-899-2

RTECS number:RD2625000

BRN number:None

PubChem number:24862408

Physical property data

None

Toxicological data

, Acute Toxicity: Rat oral LD5O: 1520mg/kg


Mice orally LD5O: 853mg/kg


Mouse transperitoneal LD5O: 960mg/kg


Mouse subcutaneously LD5O: 725mg/kg


Mouse intravenously LD5O: 83mg/kg


Dog Meridian VeinLDLO73200ug/kg


2, mutagenicity: hamster lung cytogenetic analysis test system: 100mg/L

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 106.49


2. Molar volume (m3/mol):310.2


3. isotonic specific volume (90.2K):826.5


4. Surface Tension (dyne/cm):50.4


5. Polarizability10-24cm3):42.21

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 75.7

7. Number of heavy atoms: 30

8. Surface charge: 0

9. Complexity: 647

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 2

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

: ‘Times New Roman'”>(10-24cm 3):42.21

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 8

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 75.7

7. Number of heavy atoms: 30

8. Surface charge: 0

9. Complexity: 647

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 2

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/45207

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