Dtpa-bma

HCID 60755
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Basic information

CAS
119895-95-3
Standard SMILES
CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NC)CC(=O)O)CC(=O)O
InChIKey
RZESKRXOCXWCFX-UHFFFAOYSA-N
Molecular formula
C16H29N5O8
Average molar mass
419.43 g/mol
Monoisotopic mass
419.20161289

Overview

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Names & identifiers

Preferred name
Dtpa-bma
IUPAC
2-[bis[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
English name
DTPA-BMA
Molecular formula
C16H29N5O8
Molecular weight
419.43

Names & synonyms

DTPA-BMARefChem:590454119895-95-3Caldiamide2-[bis[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid5,8-bis(carboxymethyl)-11-(2-(methylamino)-2-oxoethyl)-3-oxo-2,5,8,11-tetraazatridecan-13-oic acidCaldiamide parent5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oic acidGadoteridol Impurity 12CHEMBL106971SCHEMBL1114868DTXSID40275659
Show more names
Diethylenetriaminepentaacetic acid bismethylamide1,7-Bis(methylcarbamoylmethyl)-1,4,7-triazaheptane-1,4,7-triacetic acid1,7-Bis(methylcarbamoylmethyl)-1,4,7-triazaheptane-1,4,7-trisacetic acidN,N'-(Carboxymethyliminobisethylene)bis[N-(methylcarbamoylmethyl)glycine]6-Carboxymethyl-3,9-bis(methylcarbamoylmethyl)-3,6,9-triazaundecanedioic acid2-[bis[2-[carboxymethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]aceticaci5,8-bis(carboxymethyl)]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetreazatridecan-13-oic acid
RZESKRXOCXWCFX-UHFFFAOYSA-NUEA89595n,n-bis(2-{(carboxymethyl)[2-(methylamino)-2-oxoethyl]amino}ethyl)glycineNS00002150F81354SBI-0654165.0001n,n-bis[2-[(carboxymethyl)[(methylcarbamoyl)methyl]amino]ethyl]-glycine2,5,8,11-Tetraazatridecan-13-oic acid, 5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-

Database identifiers

CAS
119895-95-3
PubChem CID
60755
DTXSID
DTXSID40275659
ChEMBL
CHEMBL106971
Nikkaji
J374.426D

Properties

Computed structural properties

XLogP
-9
Topological polar surface area
180 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
11
Rotatable bonds
16
Heavy atoms
29

Experimental & physicochemical properties

DrugsPharmaceuticals

Physicochemical properties

Boiling point
769.1 · 769.1±60.0 °C(Predicted)
Density
1.352 · 1.352
solubility
Water;
pka
2.2 · 2.20±0.10(Predicted)
form
Solid
color
Light Yellow

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS08,GHS07,GHS09
Hazard statements
H361-H411-H319
REACH Registrations
Active
Precautionary statements
P201-P202-P281-P308+P313-P405-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications · 1 item

UsesDtpa-bma is an intermediate used in the synthesis of Caldiamide Sodium (C145690), which is an analog of Gadodiamide (G125710) which is an apoptosis inducing agent used in chondrocytes. Gadodiamide is primarily used in muscoskeletal diagnosis as a contrast agent.

Suppliers16 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
广州市亿邦医药科技有限公司+86 (20) 28996708,29078958,28139708,29076128,28133708,28139728,28139738,28133718,021-31663278,021-31663578,021-60538387
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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