메틸렌디포스폰산

Medronic Acid

HCID 16124CAS 1984-15-2

기본 정보

표준 SMILES: O=P(O)(O)CP(=O)(O)O
InChIKey: MBKDYNNUVRNNRF-UHFFFAOYSA-N
분자식: CH6O6P2
평균 분자량: 176 g/mol
단동위원소 질량: 175.96396117

개요

Medronic acid is a 1,1-bis(phosphonic acid) consisting of methane substituted by two phosphonic acid groups. It has a role as a chelator and a bone density conservation agent.

이름 및 식별자

우선 이름: Medronic Acid
IUPAC: phosphonomethylphosphonic acid
현지명: 메틸렌디포스폰산
영어명: Methylenediphosphonic acid
분자식: CH6O6P2
분자량: 176

이름 및 동의어

Methylenediphosphonic acidMEDRONIC ACID1984-15-2Phosphonic acid, methylenebis-MedronateAcido medronicoAcide medroniqueMethylenebis(phosphonic acid)methanediphosphonic acidAcidum medronicummethanebisphosphonic acidMethylene-1,1-bisphosphonic acid

이름 더 보기

메틸렌디포스폰산메틸렌디포스폰산(METHYLENEDIPHOSPHONICACID)MDPmethylenediphosphonateMedronicmedronicaciMDP~MedronicacidMedronic acid CRSMedronic acid - EP

73OS0QIN3OPhosphonic acid, methylenedi-methanediylbis(phosphonic acid)DTXSID8045696DTXCID6025696CHEBI:43945RefChem:1088907217-851-0

데이터베이스 식별자

CAS: 1984-15-2
PubChem CID: 16124
DTXSID: DTXSID8045696
ChEMBL: CHEMBL180570
ChEBI: CHEBI:43945
UNII: 73OS0QIN3O
EC Number: 217-851-0
Nikkaji: J7.840I

물성

구조 계산 물성

XLogP: -3.3
극성 표면적: 115 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 151

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

Human DrugsBreast Feeding; Lactation; Milk, Human; Radiopharmaceuticals; Technetium Compounds; Diagnostic Agents

물리화학적 성질

녹는점: 197 · 197-199 °C(lit.)
끓는 점: 583.2 · 583.2±60.0 °C(Predicted)
밀도: 2.111 · 2.111±0.06 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: 250 mg/mL · DMSO : 250 mg/mL (1420.45 mM; Need ultrasonic)
산도 계수 (pKa): 1.43 · 1.43±0.10(Predicted)
물리적 상태: 촉촉한 결정 또는 결정성 분말
색상: 파란색
수용성: 물에 용해됩니다.
Merck: 14 · 14,5792
BRN: 1708494 · 1708494
InChI: InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
InChIKey: MBKDYNNUVRNNRF-UHFFFAOYSA-N
SMILES: C(P(O)(O)=O)P(O)(O)=O

화학적 성질

Colourless solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

독성 정보

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

wgk: -
rtecs: SZ9138000
ridadr: UN 3261 8/PG 3
독성: LD50 in mice, rabbits (mg/kg): 45-50 i.v. (Subramanian, 1975)
HS 번호: 29319019
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
기존화학 물질: KE-23916
F 고인화성물질: 3
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도Methylenediphosphonic acid is a radioactive compound used for skeletal imaging. MDP has been used as a chelating agent to vary calcium levels in cell culture in a study of caffeine storage in bovine chromaffin cells.

일반 설명MDP (Methylenediphosphonic acid) is a phosphonic analog of ATP.

상·하류 제품 정보

상류 원료

Tetraisopropyl methylenediphosphonate 염산

하류 제품

틸루드론산 Methylenebis(phosphonic dichloride)

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

추가 설명

정의ChEBI: A 1,1-bis(phosphonic acid) consisting of methane substituted by two phosphonic acid groups.

연결된 노트

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