Pyrroloquinoline Impurity 1

CAT: 1596-AR-P33551-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P33551-01Size:10 Units

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CAS Number

119825-27-3

Molecular Formula

C13H14N2O4

Molecular Weight

262.27

API Name

Pyrroloquinoline

Chemical Information

Ethyl 6-formylamino-5-methoxyindole-2-carboxylate

CAS Number	119825-27-3
PubChem CID	10890670
IUPAC Name	ethyl 6-formamido-5-methoxy-1H-indole-2-carboxylate
Molecular Formula	C13H14N2O4
Molecular Weight	262.26
XLogP	1.8
Topological Polar Surface Area	80.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	337

SMILES

CCOC(=O)C1=CC2=CC(=C(C=C2N1)NC=O)OC

InChI

InChI=1S/C13H14N2O4/c1-3-19-13(17)11-4-8-5-12(18-2)10(14-7-16)6-9(8)15-11/h4-7,15H,3H2,1-2H3,(H,14,16)

InChIKey

BXQGUJOZARLMQY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119825-27-3

CID: 10890670

Formula: C13H14N2O4

MW: 262.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.26
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	262.09535693
Monoisotopic Mass	262.09535693
Topological Polar Surface Area	80.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	337
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P33554-01	Pyrroloquinoline quinone Impurity 1
AR-P33553-01	Pyrroloquinoline Impurity 3
AR-P33552-01	Pyrroloquinoline Impurity 2
AR-P33550-01	Pyrroloquinoline Quinone
AR-P33555-01	Pyrroloquinoline Quinone-13C3 Tetrasodium Salt
AR-N01491-01	Nifedipine Impurity 1 (Benidipine Impurity 5)
AR-B01168-01	Benidipine Impurity 5 (Nifedipine Impurity 1)
AR-E10592-01	MTBE Impurity 1 and MTBE Impurity 2
AR-C06361-01	Carnosine Impurity 1
AR-C06315-01	Carmoxirole Impurity 1

Catalog	Name
TRC-P449610-25MG	Pyrroloquinoline Quineone Impurity
OR1014872-01	Pyrroloquinoline Quinone
4238-01	PYRROLOQUINOLINE QUINONE)
A13281-2	Pyrroloquinoline quinone 2mg
4239-01	PYRROLOQUINOLINE QUINONE DISODIUM
A13281-100	Pyrroloquinoline quinone 100mg
A13281-50	Pyrroloquinoline quinone 50mg
A13281-25	Pyrroloquinoline quinone 25mg
A13281-10	Pyrroloquinoline quinone 10mg
HY-100196R-01	Pyrroloquinoline quinone (Standard)