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About This Item
Empirical Formula (Hill Notation):
C26H42O5N4S2 · HCl
CAS Number:
Molecular Weight:
591.23
UNSPSC Code:
51111800
PubChem Substance ID:
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Product Name
L-368,899, ≥98% (HPLC), powder
Quality Segment
assay
≥98% (HPLC)
form
powder
color
white
solubility
H2O: soluble 20 mg/mL
originator
Merck & Co., Inc., Kenilworth, NJ, U.S.
storage temp.
−20°C
SMILES string
Cl.Cc1ccccc1N2CCN(CC2)S(=O)(=O)C[C@]34CC[C@H](C[C@@H]3NC(=O)[C@@H](N)CCS(C)(=O)=O)C4(C)C
InChI
1S/C26H42N4O5S2.ClH/c1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33;/h5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31);1H/t20-,21+,23+,26-;/m1./s1
InChI key
GIUFQWFJHXXXEQ-SWJTYIIKSA-N
Gene Information
human ... OXTR(5021)
Biochem/physiol Actions
L-368,899 is a non-peptide oxytocin receptor (OTR) antagonist.
Features and Benefits
This compound was developed by Merck & Co., Inc., Kenilworth, NJ, U.S.. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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