Basic information
- CAS
70724-25-3- Standard SMILES
CCNC(=O)OC1CCN(c2nncc3cc(OC)c(OC)cc23)CC1- InChIKey
QJGVXJYGDBSPSJ-UHFFFAOYSA-N- Molecular formula
- C18H24N4O4
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.17975526
Overview
Carbazeran is a small molecule drug. Carbazeran has a monoisotopic molecular weight of 360.18 Da.
Names & identifiers
- Preferred name
- Carbazeran
- IUPAC
- [1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl] N-ethylcarbamate
- English name
- Carbazeran
- Molecular formula
- C18H24N4O4
- Molecular weight
- 360.41
Names & synonyms
Carbazeran70724-25-3CarbazeranumUK-31557UK-31,557DTXSID002209830N4I6K95P2RefChem:574160DTXCID301434741-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl ethylcarbamateMFCD008671071-(6,7-Dimethoxy-1-phthalazinyl)-4-piperidyl ethylcarbamate
Show more names
557UK31UK-31UK 311-(6,7-Dimethoxyphthalazin-1-yl)Ethylcarbamic acid carbamic acidinhibit,Phosphodiesterase (PDE),Carbazeran,Inhibitor
[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl] N-ethylcarbamateUK 31557Carbamic acid, ethyl-, 1-(6,7-dimethoxy-1-phthalazinyl)-4-piperidinyl esterCarbazeran [USAN:INN]Carbazeranum [INN-Latin]UNII-0N4I6K95P2Carbazeran (>90%)CARBAZERAN [INN]
Database identifiers
- CAS
70724-25-3- PubChem CID
- 71983
- DTXSID
DTXSID00220983- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 596 ℃ · 596℃
- Density
- 1.27 · 1.27
- Flash point
- 314 ℃ · 314℃
- storage temp.
- 2 · 2-8°C
- solubility
- 2 mg/mL · DMSO: ≥2mg/mL at warmed
- form
- powder
- pka
- 12.72 · 12.72±0.46(Predicted)
- color
- white to beige
- Stability
- Hygroscopic
- InChI
- 1S/C18H24N4O4/c1-4-19-18(23)26-13-5-7-22(8-6-13)17-14-10-16(25-3)15(24-2)9-12(14)11-20-21-17/h9-11,13H,4-8H2,1-3H3,(H,19,23)
- InChIKey
- QJGVXJYGDBSPSJ-UHFFFAOYSA-N
- SMILES
- CCNC(=O)OC1CCN(CC1)c2nncc3cc(OC)c(OC)cc23
- FDA UNII
- 0 N4I6K95P2 · 0N4I6K95P2
- UNSPSC Code
- 41106305 · 41106305
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310+P330
Chemistry & industry
Applications
UsesCarbazeran is a phosphodiesterase inhibitor drug. Carbazeran shows chronotropic and inotropic effects.
Upstream & downstream products
Downstream products
Suppliers43 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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