Basic information
- CAS
137056-72-5- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCN(C)C)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
HIHOWBSBBDRPDW-PTHRTHQKSA-N- Molecular formula
- C32H56N2O2
- Average molar mass
- 500.8 g/mol
- Monoisotopic mass
- 500.43417903
Overview
used to prepare sonicated liposomes
Names & identifiers
- Preferred name
- 3-(N-(N',N'-dimethylaminoethane)carbamoyl)cholesterol
- IUPAC
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-(dimethylamino)ethyl]carbamate
- English name
- 3â[N-(N'',N''-Dimethylaminoethane)-carbamoyl]cholesterol
- Molecular formula
- C32H56N2O2
- Molecular weight
- 500.8
Names & synonyms
137056-72-5DC-Chol3-(N-(N',N'-Dimethylaminoethane)carbamoyl)cholesterolDAC 30DAC-30RefChem:576070Cholesteryl N-(2-dimethylaminoethyl)carbamate3beta-[N-(N',N'-Dimethylaminoethane)-carbamoyl]cholesterolCholest-5-en-3-ol (3beta)-, [2-(dimethylamino)ethyl]carbamate[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-(dimethylamino)ethyl]carbamate3beta-[N-(N',N'-Dimethylaminoethyl)carbamoyl]cholesterol(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (2-(dimethylamino)ethyl)carbamate
Show more names
3β-{N-[2-(Dimethylamino)ethyl]carbamoyl}cholesterol3BETA[N-(N,N-DIMETHYLAMINOETHANECARBAMOYL CHOLESTEROL3β-[N-(N',N'-dimethylaminoethyl)carbamoyl]cholesterol3b[N-(N',N'-DiMethylaMinoethane)-carbaMoyl]cholesterol3-β-N-(N',N'-Dimethylaminoethane)-carbamoyl cholesterol3-β-[N-(N’,N’-Dimethylaminoethane)-carbamoyl]cholesterol3a[N-(N'',N''-Dimethylaminoethane)-carbamoyl]cholesterol
3beta-(N-(N',N'-Dimethylaminoethane)carbamoyl)cholesterol3beta[N-(N',N'-dimethylaminoethane)-carbamoyl]cholesterolDC Cholesterol3|A-[N-(N inverted exclamation marka,N inverted exclamation marka-Dimethylaminoethyl)carbamoyl]cholesterol3beta-[N-(N',N'-dimethylaminoethane)carbamoyl]cholesterolCholest-5-en-3-ol (3beta)-, (2-(dimethylamino)ethyl)carbamate46M59NYH3Forb2647019
Database identifiers
- CAS
137056-72-5- PubChem CID
- 115234
- DTXSID
DTXSID80929700- UNII
- 46M59NYH3F
- EC Number
- 685-708-3
- Nikkaji
- J602.778D
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 791
Physicochemical properties
- Melting point
- 107.5 · 107.5-108.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 578.1 · 578.1±39.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.09 · 8.09±0.46(Predicted)
- color
- White to Off-White
- InChIKey
- HIHOWBSBBDRPDW-MTIZRNOUSA-N
- SMILES
- CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)NCCN(C)C
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 85 · NA.85
- Hazard statements
- 413 · H413
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 · Aquatic Chronic 4
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H413
- Hazard Classifications
- Aquatic Chronic 4
Chemistry & industry
Applications
Uses3-β-[N-(N’,N’-Dimethylaminoethane)-carbamoyl]cholesterol is a cationic liposome reagent. It has been investigated in cancer gene therapy and vaccine delivery system.
Suppliers22 total
陕西科贝莱药物研发有限公司13119135307 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]
成都抚星辰医药科技有限公司18782236258; 18782236258 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
深圳市奇美克生物科技有限公司13692196024 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
深圳乾延药物研发科技有限公司0755-28682735 13538090636
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Aladdin Scientific[email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
湖北省法码斯生物科技有限公司027-19050701 13545374703 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
8 records
Compound notes
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