Retosiban

CAT: 0931-T16736-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T16736-01Size:100 mg

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

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CAS Number

820957-38-8

Target

Others, Oxytocin Receptor

Related Pathways

Others, GPCR/G Protein, Endocrinology/Hormones

Bioactivity

Retosiban is an effective and selective oxytocin antagonist (Ki: 0.65 nM) .

Smiles

CC[C@H](C)[C@H]1N([C@@H](C(=O)N2CCOCC2)c2coc(C)n2)C(=O)[C@H](NC1=O)C1Cc2ccccc2C1

Molecular Formula

C27H34N4O5

Molecular Weight

494.58

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Retosiban

Retosiban is a dipeptide.

CAS Number	820957-38-8
PubChem CID	11340891
IUPAC Name	(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
Molecular Formula	C27H34N4O5
Molecular Weight	494.6
XLogP	2.6
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	36
Formal Charge	0
Complexity	819

SMILES

CC[C@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](C2=COC(=N2)C)C(=O)N3CCOCC3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1

InChIKey

PLVGDGRBPMVYPB-FDUHJNRSSA-N

Chemical Structure

2D Structure

CAS: 820957-38-8

CID: 11340891

Formula: C27H34N4O5

MW: 494.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	494.6
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	494.25292020
Monoisotopic Mass	494.25292020
Topological Polar Surface Area	105 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	819
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
VHB95738-01	Retosiban
HY-14778A-01	(S) -Retosiban
A13106-50	GSK221149A (Retosiban) 50mg
MBS387617-01	GSK221149A (Retosiban)
A13106-100	GSK221149A (Retosiban) 100mg
A13106-5	GSK221149A (Retosiban) 5mg
A13106-25	GSK221149A (Retosiban) 25mg
A13106-10	GSK221149A (Retosiban) 10mg

Retosiban

Chemical Information

Alternative Products

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