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Sodium Ibandronate - ≥90%(T) , CAS No.138844-81-2

Sodium Ibandronate - ≥90%(T) , CAS No.138844-81-2

Name: Sodium Ibandronate - ≥90%(T) , CAS No.138844-81-2
SKU: S161425
Availability: InStock

CAS: 138844-81-2 Cat. No.: S161425 분자식: C₉H₂₂NNaO₇P₂ 분자량: 341.21 EC 번호: 682-157-0 PubChem CID: 23670359

COA

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Sodium Ibandronate - ≥90%(T) CAS No(138844-81-2) by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥90%(T)

Synonyms

Storage

Store at 2-8°C

Shipped In

Wet ice

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

🧪

Why this grade

≥90%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Ibandronate Sodium is a highly potent nitrogen-containing bisphosphonate used for the treatment of osteoporosis.
An inhibitor of farnesyl diphosphate synthase (IC50 = 20 nM)

Specifications

동의어

사양 및 순도

≥90%(T)

생화학 및 생리적 메커니즘

Ibandronate sodium inhibits farnesyl diphosphate synthase (IC50 = 20 nM). Ibandronate sodium is also a bone resorption inhibitor. It has been investigated for in vitro anti-tumor effects, such as apoptosis induction, inhibitor of cell growth, inhibition o

보관 조건

Store at 2-8°C

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥90%(T)

이름과 식별자

Pubchem Sid

528769931

정식 스마일

CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+]

IUPAC Name

sodium;hydroxy-[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphinate

InChIKey

LXLBEOAZMZAZND-UHFFFAOYSA-M

INCHI

1S/C9H23NO7P2.Na/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);/q;+1/p-1

이성체 SMILES

CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+]

WGK 독일

RTECS

SZ8563300

대체 CAS

114084-78-5

PubChem CID

23670359

분자량

341.21

Reaxy-Rn

14511791

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - 분류 Organic phosphonic acids and derivatives
    - Subclass Bisphosphonates

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
분류	Organic phosphonic acids and derivatives
Subclass	Bisphosphonates
Intermediate Tree Nodes	Not available
Direct Parent	Bisphosphonates
Alternative Parents	Organic phosphonic acids 1,3-aminoalcohols Trialkylamines Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Bisphosphonate - 1,3-aminoalcohol - Organophosphonic acid - Tertiary amine - Tertiary aliphatic amine - Organic alkali metal salt - Organic sodium salt - Organic salt - Organic zwitterion - Organic nitrogen compound - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
설명	This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D 구조

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리뷰

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Lot Number	Certificate Type	날짜	항목
L2313448	Certificate of Analysis	Nov 10, 2023	S161425
L2313449	Certificate of Analysis	Nov 10, 2023	S161425
L2313450	Certificate of Analysis	Nov 10, 2023	S161425
L2313451	Certificate of Analysis	Nov 10, 2023	S161425

용해성	Soluble in water
감도	Heat Sensitive
분자량	341.210 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	341.077 Da
Monoisotopic Mass	341.077 Da
Topological Polar Surface Area	141.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	377.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2