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2-Amino-7-phosphonoheptanoic acid

HCID 3122
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
85797-13-3
Standard SMILES
NC(CCCCCP(=O)(O)O)C(=O)O
InChIKey
MYDMWESTDPJANS-UHFFFAOYSA-N
Molecular formula
C7H16NO5P
Average molar mass
225.18 g/mol
Monoisotopic mass
225.07660961

Overview

(D)-isomer active as an antagonist of N-methyl-D-aspartate excitation of central neurons; (L)-isomer inactive; RN given refers to cpd without isomeric designation

Names & identifiers

Preferred name
2-Amino-7-phosphonoheptanoic acid
IUPAC
2-amino-7-phosphonoheptanoic acid
English name
(+/-)-2-Amino-7-phosphonoheptanoic
Molecular formula
C7H16NO5P
Molecular weight
225.18

Names & synonyms

2-Amino-7-phosphonoheptanoic acid85797-13-3P34K80CUSMDTXSID501017823AP-7 compound2-amino-7-phosphoheptanoic acidRefChem:85336DTXCID101427135(+--)-2-amino-7-phosphonoheptanoic acidDL-AP778966-69-5AP-7
Show more names
Brn 35441522-amino-7-phosphono-heptanoicaci
DL-2-Amino-7-phosphonoheptanoic acidNSC672105(+/-)-2-Amino-7-phosphonoheptanoic acidCHEMBL274440(+/-)-2-AMINO-7-PHOSPHONOHEPTANOIC2-Amino-7-phosphono-heptanoic acidUNII-P34K80CUSMHeptanoic acid, 2-amino-7-phosphono-

Database identifiers

CAS
85797-13-3
PubChem CID
3122
DTXSID
DTXSID501017823
ChEMBL
CHEMBL274440
UNII
P34K80CUSM
Nikkaji
J33.382D

Properties

Computed structural properties

XLogP
-3.6
Topological polar surface area
121 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
14
Formal charge
0
Complexity
226

Physicochemical properties

EWG's Food Scores
1 · 1
FDA UNII
34 K80CUSM · P34K80CUSM
Safety Statements
22 · 22-24/25
RTECS
1927500 · MJ1927500

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

rtecs
MJ1927500
safety_code
22-24/25

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Drugs used to prevent SEIZURES or reduce their severity.

Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.

Applications

UsesDL-AP7 is a competitive NMDA antagonist and an anticonvulsant. DL-AP7 blocks the NMDA-induced convulsions and impairs learning performance in a passive avoidance task in mice[1].

Suppliers7 total

T&W GROUP021-61551611 13296011611 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]

Related reactions

3 records
New reaction record
HRID 1567990 reaction equation
HRID 1567990As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1632684 reaction equation
HRID 1632684As productuspto-grants-1984_10
HRID 1979911 reaction equation
HRID 1979911As productuspto-grants-1984_11

Compound notes

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