Ethylenediaminetetra(methylenephosphonic acid) (HCID 15025)

概要

Lexidronam is a phosphonate analog of ethylenediaminetetraacetic acid (EDTA), with chelating activity. Lexidronam binds to and associates with hydroxyapatite crystals concentrated in areas of bone turnover. It has been used as a radiopharmaceutical in complexes with radioactive metals to selectively deliver cytotoxic radiation to osteoblastic bone metastases.

名称と識別子

優先名称: Ethylenediaminetetra(methylenephosphonic acid)
IUPAC: [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
現地名: N,N,N',N'-エチレンジアミンテトラキス(メチレンホスホン酸)水和物
英語名: Ethylenebis(nitrilodimethylene)tetraphosphonic acid
分子式: C6H20N2O12P4
分子量: 436.12

名称と別名

1429-50-1LexidronamEthylenediaminetetra(methylenephosphonic acid)V4CP8RSX7VBRIQUEST 422-25SDTXSID3061689EDTPO(Ethylenedinitrilo)-tetramethylenephosphonic acidEthylenediamine tetra(methylene phosphonic acid)PH540Ethylenediamine tetrakis(methylene phosphonic acid)PH-540

名称をさらに表示

N,N,N',N'-エチレンジアミンテトラキス(メチレンホスホン酸)水和物1,2-エタンジイルビス(ニトリロビスメチレン)テトラキスホスホン酸[エチレンビス(ニトリロビスメチレン)]テトラキス(ホスホン酸)[1,2-エタンジイルビス(ニトリロビスメチレン)]テトラホスホン酸エチレンビス(ニトリロビスメチレン)テトラホスホン酸[1,2-エタンジイルビス(ニトリロビスメチレン)]テトラキスホスホン酸[エチレンビス(ニトリロビスメチレン)]テトラホスホン酸エチレンビスニトリロテトラキス(メチレン)テトラホスホン酸(エチレンジニトリロ)テトラ(メチレン)テトラ(ホスホン酸)(エチレンビスニトリロテトラキスメチレン)テトラキスホスホン酸エチレンジアミン-N,N,N',N'-テトラキス(メチレンホスホン酸)[[エチレンビス(ニトリロ)]テトラキスメチレン]テトラホスホン酸エチレンジアミンテトラ(メチレンホスホン酸)[1,2-エタンジイルビス[ニトリロビス(メチレン)]]テトラキスホスホン酸N,N,N',N'-テトラ(ジヒドロキシホスフィニルメチル)-1,2-エタンジアミン[エチレンビス(ニトリロビスメチレン)]テトラキスホスホン酸エチレンビスニトリロテトラキスメチレンテトラキス(ホスホン酸)[1,2-エタンジイルビス[ニトリロビス(メチレン)]]テトラキス(ホスホン酸)[エチレンビス(ニトリロ)テトラキスメチレン]テトラキスホスホン酸[(1,2-エタンジイル)ビス[ニトリロビス(メチレン)]]テトラキスホスホン酸edtmpMethylene Phosphonic AcidETHYLENEDIAMINE TETRA(METHYLENEPHOSPHONIC ACID)EDTMPS·Na8sandeqingxiDequest 2041EDTMP, EDTMPAtetrakis(methylene)

Phosphonic acid, (1,2-ethanediylbis(nitrilobis(methylene)))tetrakis-editempaeditempa acid68Ga-EDTMPRefChem:406469DTXCID9034654ethylenediaminetetra(methylenephosphonic)acidN,N,N',N' ethylenediamine tetra(methylenephosphonic acid)

データベース識別子

CAS: 1429-50-1、15142-96-8、22036-77-7、61827-49-4
PubChem CID: 15025
DTXSID: DTXSID3061689
ChEMBL: CHEMBL1208647
UNII: V4CP8RSX7V
EC Number: 215-851-5、263-254-3
Nikkaji: J56.130D

物性

構造計算による物性

XLogP: -11.2
極性表面積: 237 Å²
水素結合供与体数: 8
水素結合受容体数: 14
回転可能結合数: 11
重原子数: 24
形式電荷: 0
複雑度: 486

実験および物理化学的性質

Chemical ClassesOther Classes -> Phosphate Compounds

DrugsPharmaceuticals -> Listed in ZINC15

CosmeticsChelating

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 247 °C · 247 °C
沸点: 878.7 · 878.7±75.0 °C(Predicted)
比重(密度): 1.993 · 1.993±0.06 g/cm3(Predicted)
蒸気圧: 0 Pa · 0Pa at 25℃
貯蔵温度: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
溶解性: 水性ベース（わずかに）
外見: 個体
酸解離定数(Pka): 0.13 · 0.13±0.10(Predicted)
色: 白い
水溶解度: 19.6 g/L · 19.6g/L at 20℃
InChI: InChI=1S/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)
InChIKey: NFDRPXJGHKJRLJ-UHFFFAOYSA-N
SMILES: P(=O)(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
LogP: -4.1 · -4.1
CAS データベース: 1429 · 1429-50-1(CAS DataBase Reference)
EPAの化学物質情報: Ethylenediamine tetrakis(methylene phosphonic acid) (1429-50-1)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (58.7%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 327 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

危険有害性情報

Regulatory Information · 3 件

Chemical: Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-

Status: Active Update: 24-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23979

Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards Summary · 1 件

Not sensitizing in guinea pigs; No evidence of mutagenicity; Similar phosphonate compounds demonstrate moderate skin and eye irritation and no evidence of teratogenicity; [Reference #1] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Aminotrimethylene phosphonic acid.

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (58.7%)

Carcinogenicity - Category 1B

安全データ

tsca: TSCA listed
hs_code: 29212900
risk_code: 36/37/38
化審法: (2)-1873
hazard_code: Xi
safety_code: 26-36/37/39

化学と産業

薬理情報

MeSH Pharmacological ClassificationChemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.

用途と製造

UsesUsed in consumer dishwashing and laundry detergents; [Reference #1]

Use ClassificationCosmetics -> Chelating

General Manufacturing InformationPhosphonic acid, P,P',P'',P'''-[1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-: ACTIVE

応用分野

使用Ethylenediaminetetra(methylenephosphonic acid) is a nitrogenous polyphosphonic acid chelator is able to form complexes with various metal ions.

上流・下流製品情報

上流原料

エチレンジアミン (無水)formaldehyde りん酸トリナトリウムホルマリン三塩化りん塩化コバルト(II)SULPHOSUCCINIC ACID ESTER Phosphonic acid, [[[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-N,N,N',N'-tetrakis(hydroxymethyl)ethanediamine クロロメチルホスホン酸エチレンジアミン四酢酸

下流製品

boiler water treatment agent NS-404 boiler watet treatment agent NS-401

サプライヤー50 社

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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

N,N,N',N'-エチレンジアミンテトラキス(メチレンホスホン酸)水和物

基本情報

概要