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25197-96-0

25197-96-0 Structure

25197-96-0 Structure
IdentificationBack Directory
[Name]

5-METHOXY-L-TRYPTOPHAN
[CAS]

25197-96-0
[Synonyms]

H-5-MEO-TRP-OH
H-Trp(5-OCH3)-OH
H-L-Trp(5-OMe)-OH
L-5-METHOXYTRYPTOPHAN
5-METHOXY-L-TRYPTOPHAN
L-Tryptophan, 5-methoxy-
L-2-AMINO-3-(5-METHOXYINDOLYL)PROPIONIC ACID
(S)-2-AMino-3-(5-Methoxy-1H-indol-3-yl)propanoic acid
5-Methoxy-L-tryptophan, (S)-2-Amino-3-(5-methoxyindolyl)propionic acid, 98%
[Molecular Formula]

C12H14N2O3
[MDL Number]

MFCD01074513
[MOL File]

25197-96-0.mol
[Molecular Weight]

234.25
Chemical PropertiesBack Directory
[Melting point ]

253-256 °C
[Boiling point ]

478.3±45.0 °C(Predicted)
[density ]

1.347±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[form ]

solid
[pka]

2.22±0.10(Predicted)
[color ]

off-white to light yellow
[Optical Rotation]

[α]20/D -30 to -28° in water
[InChI]

1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1
[InChIKey]

KVNPSKDDJARYKK-JTQLQIEISA-N
[SMILES]

[N+H3][C@@H](Cc1c2c([nH]c1)ccc(c2)OC)C(=O)[O-]
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P301+P310+P330
[WGK Germany ]

WGK 1
[HS Code ]

2933998090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Uses]

(S)?-?2-?Amino-?3-?(5-?methoxy-?1H-?indol-?3-?yl)?propanoic Acid is a reagent used in the preparation of anti-HIV agent flazine analogues.
[Definition]

ChEBI: 5-methoxytryptophan is an L-tryptophan derivative that is L-tryptophan with a methoxy substituent at position 5. It has a role as a metabolite. It is functionally related to a L-tryptophan. It is a tautomer of a 5-methoxy-L-tryptophan zwitterion.
[References]

[1] Patent: WO2016/115188, 2016, A1. Location in patent: Page/Page column 14; 15; 16
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