NPEC-caged-serotonin

CAT: 0607-B7561-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-B7561-50Size:50 mg

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Description

5-HT receptor agonist

CAS Number

1257326-22-9

Product Name Alternative

(E)-1-(2-nitrophenyl)ethyl hydrogen (2-(5-hydroxy-1H-indol-3-yl)ethyl)carbonimidate

Field of Research

GPCR G protein 5-HT Receptor

Form

Yellow solid

Solubility

<36.94mg/ml in DMSO; <36.94mg/ml in ethanol

Smiles

CC(O/C(O)=N/CCC1=CNC2=C1C=C(O)C=C2)C3=CC=CC=C3N(=O)=O

Molecular Formula

C19H19N3O5

Molecular Weight

369.37

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

NPEC-caged serotonin

CAS Number	1257326-22-9
PubChem CID	90488900
IUPAC Name	1-(2-nitrophenyl)ethyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
Molecular Formula	C19H19N3O5
Molecular Weight	369.4
XLogP	3.4
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	526

SMILES

CC(C1=CC=CC=C1[N+](=O)[O-])OC(=O)NCCC2=CNC3=C2C=C(C=C3)O

InChI

InChI=1S/C19H19N3O5/c1-12(15-4-2-3-5-18(15)22(25)26)27-19(24)20-9-8-13-11-21-17-7-6-14(23)10-16(13)17/h2-7,10-12,21,23H,8-9H2,1H3,(H,20,24)

InChIKey

KUEQXJVRVDFKJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1257326-22-9

CID: 90488900

Formula: C19H19N3O5

MW: 369.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	369.4
XLogP3	3.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	369.13247072
Monoisotopic Mass	369.13247072
Topological Polar Surface Area	120 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5757557	NPEC-caged-serotonin
TRC-N899008-100MG	NPEC-caged serotonin
256028-01	NPEC-caged serotonin discontinued
256025	NPEC-caged-dopamine
GTR19186923-01	NPEC-caged-LY379268
256027-01	NPEC-caged-noradrenalin
HAC32382-01	Npec-caged-ly 379268
256024-01	NPEC-caged-D-AP5
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MBS5757556	NPEC-caged-(S)-AMPA

NPEC-caged-serotonin

Chemical Information

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