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Basic information
- CAS
102650-30-6- Standard SMILES
O=C(O)CN(CCN(CC(=O)O)C[C@H](Cc1ccc(N=C=S)cc1)N(CC(=O)O)CC(=O)O)CC(=O)O- InChIKey
VAOYPHGXHKUTHC-KRWDZBQOSA-N- Molecular formula
- C22H28N4O10S
- Average molar mass
- 540.551 g/mol
- Monoisotopic mass
- 540.1526141
Names & identifiers
- Preferred name
- 1-(4-Isothiocyanatobenzyl)diethylenetriaminepentaacetic acid
- IUPAC
- N-{2-[Bis(carboxymethyl)amino]ethyl}-N-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]glycine
- English name
- 1-(4-isothiocyanatobenzyl)diethylenetriaminepentaacetic acid
- Molecular formula
- C22H28N4O10S
- Molecular weight
- 540.54
Names & synonyms
p-SCN-Bn-DTPA(S)-p-SCN-Bn-DTPAp-SCN-Bn-DTPA(B-305)Aliskiren Impurity 75p-SCN-Bn-DTPA(HCl salt)N,N-Dimethylacetamide (Acetic Acid Dimethylacetamide)1-(4-isothiocyanatobenzyl)diethylenetriaminepentaacetic acidS-2-(4-Aminobenzyl)-diethylenetriamine penta-tert-butyl acetate(S)-2,2＇-((2-((2-(Bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)(carboxymethyl)amino)ethGlycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]-
Database identifiers
- CAS
102650-30-6- PubChem CID
- 124173
- DTXSID
DTXSID90145439- UNII
- 5H79013Y15
- Nikkaji
- J2.543.288F
Properties
Physicochemical properties
- Boiling point
- 858.8 · 858.8±65.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 1.76 · 1.76±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- InChIKey
- VAOYPHGXHKUTHC-KRWDZBQOSA-N
- SMILES
- C(O)(=O)CN(CCN(CC(O)=O)CC(O)=O)C[C@@H](N(CC(O)=O)CC(O)=O)CC1=CC=C(N=C=S)C=C1
- FDA UNII
- 5 H79013Y15 · 5H79013Y15
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H334-H335
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P284-P302+P352-P342+P311-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P312-P403+P233-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Hazard statements
- H301-H315-H319-H334-H335
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P284-P302+P352-P342+P311-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P312-P403+P233-P405
Chemistry & industry
Applications
UsesBz-DTPA is a bifunctional chelator. Bz-DTPA can be used for preparing immunoconjugate of monoclonal antibody 2G3 labeled with indium-111[1].
Suppliers22 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西星贝爱科生物科技有限责任公司029-13572876172 13572876172 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
西安凯新生物科技有限公司029-68881181 13619217766 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
广州凯途化学有限公司18933936954 · [email protected]
Xian confluore Biological Technology Co., Ltd.+86-15680926068 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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