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Azamulin

CAT: 0926-AA18059-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-AA18059-01Size:1 mg
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CAS Number
76530-44-4
Synonyms
14-O- (5- (2-Amino1,3,4-triazolyl) thioacetyl) dihydromutilin; Antibiotic TDM 85-530; SA 85530b
Smiles
CC[C@@]1 (C[C@H] ([C@@]2 ([C@@H] (CC[C@@]3 ([C@H]2C (=O) CC3) [C@H] ([C@@H]1O) C) C) C) OC (=O) CSC4=NNC (=N4) N) C
Molecular Formula
C24H38N4O4S
Molecular Weight
478.65 g/mol
Controlled
No

Chemical Information

Azamulin

Azamulin is a small molecule drug. Azamulin has a monoisotopic molecular weight of 478.26 Da.

CAS Number76530-44-4
PubChem CID16072188
IUPAC Name[(1S,2R,3S,4R,6R,7R,8R,14R)-4-ethyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
Molecular FormulaC24H38N4O4S
Molecular Weight478.6
XLogP4.6
Topological Polar Surface Area156
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity786
SMILES
CC[C@@]1(C[C@H]([C@@]2([C@@H](CC[C@@]3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CSC4=NNC(=N4)N)C
InChI
InChI=1S/C24H38N4O4S/c1-6-22(4)11-16(32-17(30)12-33-21-26-20(25)27-28-21)23(5)13(2)7-9-24(14(3)19(22)31)10-8-15(29)18(23)24/h13-14,16,18-19,31H,6-12H2,1-5H3,(H3,25,26,27,28)/t13-,14+,16-,18+,19+,22-,23+,24+/m1/s1
InChIKey
FMHQJXGMLMSMLC-WBUYAQKGSA-N
Chemical Structure
2D Structure
2D structure of Azamulin
CAS: 76530-44-4
CID: 16072188
Formula: C24H38N4O4S
MW: 478.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.6
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass478.26137688
Monoisotopic Mass478.26137688
Topological Polar Surface Area156 Ų
Heavy Atom Count33
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
2915-1Azamulin

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