Products for Research Use Only
RegisterLogin

Siratiazem

CAT: 0926-FS170126Size: 40 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FS170126Size:40 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
138778-28-6
Smiles
CC (C) N (C) CCN1C2=CC=CC=C2S[C@H] ([C@H] (C1=O) OC (=O) C) C3=CC=C (C=C3) OC
Molecular Formula
C24H30N2O4S
Molecular Weight
442.57 g/mol
Controlled
No

Chemical Information

Siratiazem

RN refers to (2S-cis)-isomer

CAS Number138778-28-6
PubChem CID65989
IUPAC Name[(2S,3S)-2-(4-methoxyphenyl)-5-[2-[methyl(propan-2-yl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
Molecular FormulaC24H30N2O4S
Molecular Weight442.6
XLogP3.9
Topological Polar Surface Area84.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity608
SMILES
CC(C)N(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)OC(=O)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H30N2O4S/c1-16(2)25(4)14-15-26-20-8-6-7-9-21(20)31-23(22(24(26)28)30-17(3)27)18-10-12-19(29-5)13-11-18/h6-13,16,22-23H,14-15H2,1-5H3/t22-,23+/m1/s1
InChIKey
VVZILLNNYUUOIY-PKTZIBPZSA-N
Chemical Structure
2D Structure
2D structure of Siratiazem
CAS: 138778-28-6
CID: 65989
Formula: C24H30N2O4S
MW: 442.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.6
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass442.19262862
Monoisotopic Mass442.19262862
Topological Polar Surface Area84.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202499-01Siratiazem

Popular Products