Basic information
- CAS
14679-73-3- Standard SMILES
CCOC(=O)NNc1nncc2ccccc12.Cl- InChIKey
OMCOKCNIYWULQH-UHFFFAOYSA-N- Molecular formula
- C11H13ClN4O2
- Average molar mass
- 268.7 g/mol
- Monoisotopic mass
- 268.0727034
Names & identifiers
- Preferred name
- Todralazine hydrochloride
- IUPAC
- ethyl N-(phthalazin-1-ylamino)carbamate;hydrochloride
- English name
- Todralazine hydrochloride
- Molecular formula
- C11H13ClN4O2
- Molecular weight
- 268.7
Names & synonyms
Todralazine hydrochloride3778-76-5Todralazine HCl621-BT hydrochlorideCCRIS 5090DTXSID4044664C59540FEXPTodralazine hydrochloride [JAN]CARBAZIC ACID, 3-(1-PHTHALAZINYL)-, ETHYL ESTER, MONOHYDROCHLORIDEN1-Ethoxy carbonyl-N2-hydrazinophthalazine hydrochlorideDTXCID2024664TODRALAZINE HYDROCHLORIDE [MI]
Show more names
binazinbinazineapiracholECARAZINEApiracohlHydrapron621-bthydrochlorideECARAZINE HYDROCHLORIDE
ANHYDROUS TODRALAZINE HYDROCHLORIDETODRALAZINE HYDROCHLORIDE ANHYDROUSTODRALAZINE HYDROCHLORIDE [WHO-DD]Ethyl 3-(phthalazin-1-yl)carbazate hydrochlorideANHYDROUS TODRALAZINE HYDROCHLORIDE [MART.]ANHYDROUS TODRALAZINE HYDROCHLORIDE (MART.)RefChem:898542622-774-4
Database identifiers
- CAS
14679-73-3、3778-76-5- PubChem CID
- 19604
- DTXSID
DTXSID4044664- ChEMBL
CHEMBL1318529- UNII
- C59540FEXP
- EC Number
- 622-774-4
Properties
Computed structural properties
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
Collision Cross Section150 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 1 mg/ml; PBS (pH 7.2): slightly
- form
- A crystalline solid
- color
- White to off-white
- FDA UNII
- 59540 FEXP · C59540FEXP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- FE2778600
- Toxicity
- LD50 i.p. in mice: 500 mg/kg (Parravincini)
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Applications
UsesTodralazine Hydrochloride is an antihypertensive agent for research use. Vasodilator.
UsesAntihypertensor
Upstream & downstream products
Upstream raw materials
Suppliers25 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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