Etomidoline

CAT: 0931-T31722-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T31722-02Size:50 mg

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

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CAS Number

21590-92-1

Target

Others

Related Pathways

Others

Bioactivity

Etomidoline has myolytic activity on extravascular smooth muscle.

Smiles

N(C1C=2C(C(=O)N1CC)=CC=CC2)C3=CC=C(OCCN4CCCCC4)C=C3

Molecular Formula

C23H29N3O2

Molecular Weight

379.5

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Etomidoline

Etomidoline is an organic molecular entity.

CAS Number	21590-92-1
PubChem CID	3309
IUPAC Name	2-ethyl-3-[4-(2-piperidin-1-ylethoxy)anilino]-3H-isoindol-1-one
Molecular Formula	C23H29N3O2
Molecular Weight	379.5
XLogP	4
Topological Polar Surface Area	44.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	500

SMILES

CCN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)OCCN4CCCCC4

InChI

InChI=1S/C23H29N3O2/c1-2-26-22(20-8-4-5-9-21(20)23(26)27)24-18-10-12-19(13-11-18)28-17-16-25-14-6-3-7-15-25/h4-5,8-13,22,24H,2-3,6-7,14-17H2,1H3

InChIKey

ITIONVBQFUNVJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21590-92-1

CID: 3309

Formula: C23H29N3O2

MW: 379.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	379.5
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	379.22597718
Monoisotopic Mass	379.22597718
Topological Polar Surface Area	44.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	500
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

Alternative Products

Catalog	Name
MBS5781322	Etomidoline

Etomidoline

Chemical Information

Alternative Products

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