ABT 102

CAT: 1410-M27944-07Size: 200 mgDry Ice: NoHazardous: No

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CAT#:1410-M27944-07Size:200 mg

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Description

ABT 102 is a selective antagonist of transient receptor potential vanilloid 1 (TRPV1) receptor.

CAS Number

808756-71-0

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

348.44

Molecular Formula

C21H24N4O

Notes

Research use only, not for human use.

Receptor

——

Chemical Information

Abt 102

a TRPV1 antagonist; structure in first source

CAS Number	808756-71-0
PubChem CID	11256560
IUPAC Name	1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea
Molecular Formula	C21H24N4O
Molecular Weight	348.4
XLogP	4.2
Topological Polar Surface Area	69.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	517

SMILES

CC(C)(C)C1=CC2=C(C=C1)[C@@H](CC2)NC(=O)NC3=CC=CC4=C3C=NN4

InChI

InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1

InChIKey

TYOYXJNGINZFET-GOSISDBHSA-N

Chemical Structure

2D Structure

CAS: 808756-71-0

CID: 11256560

Formula: C21H24N4O

MW: 348.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	348.4
XLogP3	4.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	348.19501140
Monoisotopic Mass	348.19501140
Topological Polar Surface Area	69.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	517
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

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M10947-01	ABT-639
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M14550-01	ABT-239
M12975-01	ABT-080
M11717-01	ABT-751
M11056-01	ABT-199
M21091-01	ABT-724
M16195-01	ABT-737

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ABT 102

Chemical Information

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