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TAK-700

TAK-700 structure

CAS No:
426219-18-3
Formula:
C18H17N3O2
Chemical Name:
TAK-700
Synonyms:
(S)-6-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-e]imidazol-7-yl)-N-methyl-2-naphthamide;6-[7-Hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methyl-2-naphthalenecarboxamide TAK-700 (Orteronel);6-(6,7-dihydro-7-hydroxy-5H-pyrrolo[1,2-c]imidazol-7-yl)-N-methyl-2-Naphthalenecarboxamide;6-(6,7-dihydro-7-hydroxy-5H-pyrrolo[1,2-c]imidazol-7-yl)-N-methy;6-[7-Hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7-yl]-N-methyl-2-naphthalenecarboxamide
Categories:
Biochemical Engineering > Inhibitors

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Description

6-(7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl)-N-methyl-2-naphthalenecarboxamide is a naphthalenecarboxamide.

TAK-700 Basic Attributes

Molecular Weight：

307.34648

Exact Mass：

307.132080

Characteristics

PSA：

67.15000

XLogP3：

-0.13

Density：

1.4±0.1 g/cm3

Boiling Point：

685.1±45.0 °C at 760 mmHg

Flash Point：

368.2±28.7 °C

Refractive Index：

1.695

Safety Information

Precautionary statement(s)：

P201, P202, P260, P264, P270, P281, P308+P313, P314, P405, P501

Hazard Statements：

H361

GHS Classification：

|Danger|H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P260, P264, P270, P281, P308+P313, P314, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

6-((7S)-7-hydroxy-6,7-dihydro-5H-pyrrolo(1,2-c)imidazol-7-yl)-N-methyl-2-naphthamide

Computed Properties

Molecular Weight:307.3
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:307.132076794
Monoisotopic Mass:307.132076794
Topological Polar Surface Area:67.2
Heavy Atom Count:23
Complexity:471
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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TAK-700(Orteronel)

CAS No.: 426219-18-3

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