메틸글루카민
메틸글루카민 · N-METHYL-D-GLUCAMINE · N-METHYLGLUCAMINE · Methylglucamine · Meglumin · 1-deoxy-1-(methylamino)-d-glucito · (2R,3R,4R,5S)-6-(MethylaMino)hexane-1,2,3,4,5-pentaol · 1-DEOXY-1-(METHYLAMINO)-D-GLUCITOL
식별자 및 물리적 특성
| CAS No. | 6284-40-8 |
|---|---|
| 분자식 | C7H17NO5 |
| 평균 분자량 | 195.21 g/mol |
| 단동위원소 질량 | 195.11067264 g/mol |
| SMILES | CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |
| InChIKey | MBBZMMPHUWSWHV-BDVNFPICSA-N |
| PubChem CID | 8567 |
| ChEMBL | CHEMBL1200570 |
| ChEBI | CHEBI:59732 |
| EC No. | 228-506-9 |
| DTXSID | DTXSID0023244 |
| 현지명 | 메틸글루카민 |
화학 및 물리적 성질
| XLogP | -2.8 |
|---|---|
| 극성 표면적 | 113 |
| 수소 결합 공여자 수 | 6 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 134 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 화장품 | Hair conditioning |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Animal Drugs | Pharmaceuticals -> UK Veterinary Medicines Directorate List |
| Physical Description | Dry PowderLiquid |
| Dissociation Constants | 9.6 |
| Collision Cross Section | 141.3 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0023244]134.31 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]139 Ų [M+H]+ [CCS Type: TW |
| 녹는점 | 129-131.5 °C (lit.) |
| 끓는 점 | 331.88°C (rough estimate) |
| 밀도 | 1.2669 (rough estimate) |
| 굴절률 | -16.5 ° (C=2, H2O) |
| 저장 조건 | 2-8°C |
| 용해도 | H2O: 0.1 g/mL, 투명, 무색 |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | pKa 9.39(H2O,t =30.0,I=0.05N2)(Approximate) |
| 색상 | 흰색에서 거의 흰색 |
| pH | 11 (10g/l, H2O, 20℃) |
| 생물학적 소스 | synthetic (organic) |
| 용해도 | 100g/100mL(25℃) |
| Merck | 14,6078 |
| BRN | 385906 |
| 주요 응용 | 의약품(소분자) |
| 화장품 원료 기능 | 헤어 컨디셔닝 |
| InChI | 1S/C7H17NO5/c1-8-2-4(10)6(12)7(13)5(11)3-9/h4-13H,2-3H2,1H3/t4-,5+,6+,7+/m0/s1 |
| InChIKey | MBBZMMPHUWSWHV-VZFHVOOUSA-N |
| SMILES | CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO |
| LogP(분배 계수) | -3.370 (est) |
| NIST | N-methylglucamine(6284-40-8) |
| EPA | Meglumine (6284-40-8) |
화학적 성질
Meglumine occurs as a white to slightly yellow-colored crystalline powder; it is odorless or with a slight odor.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 93.4% (425 of 455) of all reports.Not ClassifiedAggregated GHS information provided per 455 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: D-Glucitol, 1-deoxy-1-(methylamino)-D-Glucitol, 1-deoxy-1-(methylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of D-Glucitol, 1-deoxy-1-(methylamino)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 13-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/18480Meglumine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 독성 | LD50 orally in Rabbit: > 5000 mg/kg |
| 관세 코드 | 29221980 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 24/25 |
| 기존화학 물질 | KE-09604 |
| F 고인화성물질 | 3-10-23 |
| 자연 발화 온도 | ~662 °F |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
N-Methyl-D-glucamine is used in conjunction with iodinated organic compounds in contrast media viz. diatrizoate meglumine and iodipamide meglumine. It is useful in ion-exchange resins to chelate boron ions selectively. It is also used as an excipient in pharmaceuticals, in cosmetics and X-ray contrast media. It is also employed in the synthesis of surface active agents, pharmaceuticals and dyes.
일반 설명
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.Meglumine is a glucose-derived secondary amine which is widely used as an excipient in pharmaceutical formulations.
제조 및 합성 방법
생산 방법
Meglumine is prepared by the imination of glucose and monomethylamine, in an alcoholic solution, followed by catalytic hydrogenation.