Nispomeben

CAT: 0931-T201016-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T201016-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1443133-41-2

Target

Others

Related Pathways

Others

Bioactivity

Nispomeben is an effective non-opioid analgesic.

Smiles

C([C@H](NC(CCC1=CC=CC=C1)=O)COC[C@H](C)O)C2=CC=C(O)C=C2

Molecular Formula

C21H27NO4

Molecular Weight

357.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Nispomeben

Nispomeben is a small molecule drug. Nispomeben has a monoisotopic molecular weight of 357.19 Da.

CAS Number	1443133-41-2
PubChem CID	51033894
IUPAC Name	N-[(2S)-1-(4-hydroxyphenyl)-3-[(2S)-2-hydroxypropoxy]propan-2-yl]-3-phenylpropanamide
Molecular Formula	C21H27NO4
Molecular Weight	357.4
XLogP	2.7
Topological Polar Surface Area	78.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Heavy Atom Count	26
Formal Charge	0
Complexity	389

SMILES

C[C@@H](COC[C@H](CC1=CC=C(C=C1)O)NC(=O)CCC2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO4/c1-16(23)14-26-15-19(13-18-7-10-20(24)11-8-18)22-21(25)12-9-17-5-3-2-4-6-17/h2-8,10-11,16,19,23-24H,9,12-15H2,1H3,(H,22,25)/t16-,19-/m0/s1

InChIKey

CDKPAWCGPQDCGU-LPHOPBHVSA-N

Chemical Structure

2D Structure

CAS: 1443133-41-2

CID: 51033894

Formula: C21H27NO4

MW: 357.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	357.4
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	10
Exact Mass	357.19400834
Monoisotopic Mass	357.19400834
Topological Polar Surface Area	78.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	389
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-159837	Nispomeben

Nispomeben

Chemical Information

Alternative Products

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