Structural formula of temotiomide

Structural formula of temotiomide

Structural formula

Business number 03WB
Molecular formula C18H24INO2S
Molecular weight 445.36



Numbering system

CAS number:144-12-7

MDL number:None

EINECS number:205-616-5

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data


Toxicological data

1, acute toxicity: oral administration to rats LD50 :2295 mg/kg;

Large Mouse abdominal cavity LD50: 240 mg/kg;

Large Mouse subcutaneous LD50: 1350 mg/kg;

Large Mouse vein LD50: 30 mg/kg;

Small Rat oral LD50: 1800 mg/kg;

Small Mouse abdominal cavity LD50: 130 mg/kg;

Small Mouse vein LD50: 30 mg/kg;

Small Mouse subcutaneous LD50: 450 mg/kg.

Ecological data

3. Ecological data:

Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.

Molecular structure data


Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 57.7

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 353

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 2

Properties and stability

Stable under normal temperature and pressure.

Storage method

Seal and store in a dry and cool place.

Synthesis method



Use: Anesthesia auxiliary Medicine (skeletal muscle relaxant)

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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