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1190392-22-3

1190392-22-3 Structure

1190392-22-3 Structure
IdentificationBack Directory
[Name]

(6S)-4,6,7,8-tetrahydro-4-oxo-Pyrrolo[1,2-a]pyriMidine-6-carboxylic acid
[CAS]

1190392-22-3
[Synonyms]

(6S)-4-OXO-7,8-DIHYDRO-6H-PYRROLO[1,2-a]PYRIMIDINE-6-CARBOXYLIC ACID
(S)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylicacid
(6S)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-α]pyrimidine-6-carboxylic acid
(6S)-4,6,7,8-tetrahydro-4-oxo-Pyrrolo[1,2-a]pyriMidine-6-carboxylic acid
(6S)-4-oxo-4,6,7,8-tetrahydropyrrolo [1,2α] pyrimidine-6-carboxylic acid
Pyrrolo[1,2-a]pyrimidine-6-carboxylic acid, 4,6,7,8-tetrahydro-4-oxo-, (6S)-
(6S)-4-oxo-4,6,7,8-tetrahydropyrrolo [1,2α] pyrimidine-6-carboxylic acid[OR](6S)-4,6,7,8-tetrahydro-4-oxo-Pyrrolo[1,2-a]pyriMidine-6-carboxylic acid[OR](S)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-α]pyrimidine-6-carboxylic acid
[Molecular Formula]

C8H8N2O3
[MDL Number]

MFCD20133989
[MOL File]

1190392-22-3.mol
[Molecular Weight]

180.16
Chemical PropertiesBack Directory
[Boiling point ]

392.2±44.0 °C(Predicted)
[density ]

1.61±0.1 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[pka]

2.72±0.20(Predicted)
[Appearance]

White to off-white Solid
[Optical Rotation]

-190.621° (C=1.0012 g/100ml,MEOH ,20°C,589nm)
[InChI]

InChI=1S/C8H8N2O3/c11-7-3-4-9-6-2-1-5(8(12)13)10(6)7/h3-5H,1-2H2,(H,12,13)/t5-/m0/s1
[InChIKey]

VBGNTNJINOCQNQ-YFKPBYRVSA-N
[SMILES]

C12CC[C@@H](C(O)=O)N1C(=O)C=CN=2
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Hazard InformationBack Directory
[Uses]

(S)-4-Oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid is an impurity of Vibegron and can be used as a reference standard for the analysis and testing of related drugs.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-4-Oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid(1190392-22-3)1HNMR
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