Deferoxamine Mesylate

HCID 62881CAS 138-14-7

기본 정보

표준 SMILES: CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O
InChIKey: IDDIJAWJANBQLJ-UHFFFAOYSA-N
분자식: C26H52N6O11S
평균 분자량: 656.8 g/mol
단동위원소 질량: 656.34147748

개요

Deferoxamine Mesylate is the mesylate salt of an iron-chelating agent that binds free iron in a stable complex, preventing it from engaging in chemical reactions. Deferoxamine chelates iron from intra-lysosomal ferritin and ferrioxamine, a water-soluble complex excreted by the kidneys and in the feces via the bile. This agent does not readily chelate iron bound to transferrin, hemoglobin, myoglobin or cytochrome.

이름 및 식별자

우선 이름: Deferoxamine Mesylate
IUPAC: N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;methanesulfonic acid

이름 및 동의어

Deferoxamine mesylate138-14-7DesferalDesferrioxamine B mesylateDeferoxamine mesilateDesferrioxamine mesylateDeferoxamine methanesulfonateDesferal mesylateDeferoxamine B mesylateDESFERRIOXAMINE MESILATEDesferrioxamine methanesulfonateDTXSID6037649

이름 더 보기

V9TKO7EO6KDeferoxamini mesilasNSC-756718Desferrioxamine B methanesulfonateBa-33112DTXCID4017649NSC644468CHEBI:31460

데이터베이스 식별자

CAS: 138-14-7
PubChem CID: 62881
DTXSID: DTXSID6037649
ChEMBL: CHEMBL1234
UNII: V9TKO7EO6K
EC Number: 205-314-3

물성

구조 계산 물성

극성 표면적: 269 Å²
수소 결합 공여자 수: 7
수소 결합 수용자 수: 12
회전 가능 결합 수: 23
무거운 원자 수: 44
형식 전하: 0
복잡도: 832

실험 및 물리화학적 성질

Human Drugs · 2건

FDA approved drugs -> Active ingredient

Collision Cross Section221.4 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 30% (3 of 10) of reports.

Danger

H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationDesferrioxamine B mesylate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Butanediamide, N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxy-, monomethanesulfonate (salt): Environment tier I assessment

Hazard Classes and CategoriesSkin Irrit. 2 (60%)

독성 정보

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Deferoxamine mesylate

vLess-DILI-concern

No match

DOI:10.1016/j.drudis.2016.02.015

화학 및 산업

약리 정보

FDA Pharmacological Classification · 2건

DEFEROXAMINE MESYLATE

Iron Chelating Activity [MoA]; Iron Chelator [EPC]

MeSH Pharmacological ClassificationLow-molecular-weight compounds produced by microorganisms that aid in the transport and sequestration of ferric iron. (The Encyclopedia of Molecular Biology, 1994)