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NA 0362

CAT: 0013-GTR19208480-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208480-02Size:50 mg
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Description
NA 0362 is a smooth muscle contraction inhibitor derived from SF 2370. This small molecule is a valuable research tool for studying vascular and bronchial physiology in both in vitro tissue assays and in vivo models of hypertension or asthma.
CAS Number
134886-07-0
Smiles
CC12N3C=4C5=C (C6=C (C4C=7C3=CC=CC7) CNC6=O) C=8C (N5C (O1) CC2 (CNCCO) O) =CC=CC8
Molecular Formula
C28H26N4O4
Molecular Weight
482.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NA 0362

a derivative of SF 2370; inhibits smooth muscle contraction

CAS Number134886-07-0
PubChem CID195773
IUPAC Name(15S,16S,18R)-16-hydroxy-16-[(2-hydroxyethylamino)methyl]-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
Molecular FormulaC28H26N4O4
Molecular Weight482.5
XLogP1.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count36
Formal Charge0
Complexity935
SMILES
C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CNCCO)O
InChI
InChI=1S/C28H26N4O4/c1-27-28(35,14-29-10-11-33)12-20(36-27)31-18-8-4-2-6-15(18)22-23-17(13-30-26(23)34)21-16-7-3-5-9-19(16)32(27)25(21)24(22)31/h2-9,20,29,33,35H,10-14H2,1H3,(H,30,34)/t20-,27+,28+/m1/s1
InChIKey
WRFSERJGDWOMEZ-ANFLZCCJSA-N
Chemical Structure
2D Structure
2D structure of NA 0362
CAS: 134886-07-0
CID: 195773
Formula: C28H26N4O4
MW: 482.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.5
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass482.19540532
Monoisotopic Mass482.19540532
Topological Polar Surface Area101 Ų
Heavy Atom Count36
Formal Charge0
Complexity935
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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