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14679-73-3

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Basic Information
CAS No.: 14679-73-3
Name: Todralazine
Molecular Structure:
Molecular Structure of 14679-73-3 (Todralazine)
Formula: C11H12 N4 O2
Molecular Weight: 232.242
Synonyms: Carbazicacid, 3-(1-phthalazinyl)-, ethyl ester (8CI); Carboethoxyphthalazinohydrazine;N1-Carbethoxy-N2-phthalazinehydrazine; Todralazine
Density: 1.328g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by ingestion, intraperitoneal, intravenous, and intramuscular routes. Moderately toxic by ingestion and parenteral routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 79.63000
LogP: 1.98020
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Chemistry

Molecule structure of N-Carboethoxy-N'-phthalazino-hydrazine (CAS NO.14679-73-3):

IUPAC Name: Ethyl N-(phthalazin-1-ylamino)carbamate 
Molecular Weight: 232.23858 g/mol
Molecular Formula: C11H12N4O2 
Density: 1.328 g/cm3
Index of Refraction: 1.66
Molar Refractivity: 64.52 cm3
Molar Volume: 174.7 cm3
Polarizability: 25.57×10-24 cm3
Surface Tension: 62 dyne/cm
XLogP3-AA: 1.7
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 4
Tautomer Count: 12
Exact Mass: 232.096026
MonoIsotopic Mass: 232.096026
Topological Polar Surface Area: 76.1
Heavy Atom Count: 17
Complexity: 262
Canonical SMILES: CCOC(=O)NNC1=NN=CC2=CC=CC=C21
InChI: InChI=1S/C11H12N4O2/c1-2-17-11(16)15-14-10-9-6-4-3-5-8(9)7-12-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
InChIKey: WGZDBVOTUVNQFP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:318 mg/kg

     PJPPAA    Polish Journal of Pharmacology and Pharmacy. 31 (1979),127.
2.    

ipr-rat LD50:337 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 32 (1968),104.
3.    

ivn-rat LD50:110 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 32 (1968),104.
4.    

ims-rat LD50:333 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 32 (1968),104.
5.    

ipr-mus LD50:382 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 32 (1968),104.
6.    

ivn-mus LD50:360 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 32 (1968),104.
7.    

ims-mus LD50:417 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 32 (1968),104.
8.    

orl-frg LD50:650 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 32 (1968),104.
9.    

par-frg LD50:636 mg/kg

     BJPCAL    British Journal of Pharmacology and Chemotherapy. 32 (1968),104.

Safety Profile

Poison by ingestion, intraperitoneal, intravenous, and intramuscular routes. Moderately toxic by ingestion and parenteral routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

 N-Carboethoxy-N'-phthalazino-hydrazine (CAS NO.14679-73-3) is also named as 3-(1-Phthalazinyl)carbazic acid ethyl ester ; 5-25-17-00414 (Beilstein Handbook Reference) ; BRN 0233300 ; BT 621 ; Carboethoxyphthalazinohydrazine ; Ethyl 3-(1-phthalazinyl)carbazate ; Todralacina ; Todralacina [Spanish] ; Todralazina ; Todralazina [INN-Spanish] ; Todralazine ; Todralazinum ; Todralazinum [INN-Latin] ; UNII-WEN3K83YKD ; Carbazic acid, 3-(1-phthalazinyl)-, ethyl ester ; Hydrazinecarboxylic acid, 2-(1-phthalazinyl)-, ethyl ester (9CI) . N-Carboethoxy-N'-phthalazino-hydrazine (CAS NO.14679-73-3) is highly toxic. It will produce toxic nitrogen oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry. Keep N-Carboethoxy-N'-phthalazino-hydrazine (CAS NO.14679-73-3) separate from raw materials of food.