메틸글루카민
N-Methyl-D-glucamine
기본 정보
- CAS
6284-40-8- 표준 SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO- InChIKey
MBBZMMPHUWSWHV-BDVNFPICSA-N- 분자식
- C7H17NO5
- 평균 분자량
- 195.21 g/mol
- 단동위원소 질량
- 195.11067264
개요
N-methylglucamine is a hexosamine that is D-glucitol in which the hydroxy group at position 1 is substituted by the nitrogen of a methylamino group. A crystalline base, it is used in preparing salts of certain acids for use as diagnostic radiopaque media, while its antimonate is used as an antiprotozoal in the treatment of leishmaniasis. It is a hexosamine and a secondary amino compound.
이름 및 식별자
- 우선 이름
- N-Methyl-D-glucamine
- IUPAC
- (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
- 현지명
- 메틸글루카민
- 영어명
- Meglumine
- 분자식
- C7H17NO5
- 분자량
- 195.21
이름 및 동의어
meglumineN-Methyl-D-glucamine6284-40-8N-MethylsorbitylamineD-Glucitol, 1-deoxy-1-(methylamino)-Megluminum1-Deoxy-1-methylaminosorbitolMethylglucamineN-Methyl-D(-)-glucamined(-)-n-methylglucamine6HG8UB2MUY1-deoxy-1-methylamino-d-glucitol
이름 더 보기
메틸글루카민N-METHYLGLUCAMINEMeglumin1-deoxy-1-(methylamino)-d-glucito(2R,3R,4R,5S)-6-(MethylaMino)hexane-1,2,3,4,5-pentaol1-DEOXY-1-(METHYLAMINO)-D-GLUCITOLMeguMineMeglumine CRSMethylglucamin
D-(-)-N-MethylglucamineNSC-7391NSC-52907CHEBI:59732NSC52907NSC7391antimoniate de mAglumineRefChem:389110
데이터베이스 식별자
- CAS
6284-40-8- PubChem CID
- 8567
- DTXSID
DTXSID0023244
물성
구조 계산 물성
- XLogP
- -2.8
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 134
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsHair conditioning
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Physical DescriptionDry Powder; Liquid
Dissociation Constants9.6
Collision Cross Section
141.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0023244]
134.31 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
139 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 129 · 129-131.5 °C (lit.)
- 끓는 점
- 331.88 °C · 331.88°C (rough estimate)
- 밀도
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 93.4% (425 of 455) of all reports.
Not Classified
Aggregated GHS information provided per 455 reports by companies from 7 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
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/18480
Meglumine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 독성
- LD50 orally in Rabbit: > 5000 mg/kg
- HS 번호
- 29221980
- risk_code
- 36/37/38
- safety_code
- 24/25
- 기존화학 물질
- KE-09604
- F 고인화성물질
- 3-10-23
- 자연 발화 온도
- ~662 °F
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances used to allow enhanced visualization of tissues.
용도 및 제조
U.S. Production2023: 125,957 lb
Industry UsesIntermediate
Use ClassificationCosmetics -> Hair conditioning
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
D-Glucitol, 1-deoxy-1-(methylamino)-: ACTIVE
응용 분야
용도N-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 설명Pharmaceutical 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 방법
생산 방법Meglumine is prepared by the imination of glucose and monomethylamine, in an alcoholic solution, followed by catalytic hydrogenation.
상·하류 제품 정보
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98건
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