Retapamulin

CAT: 1596-AR-R01408-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-R01408-01Size:10 Units

Selected

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

Quick Request Actions

CAS Number

224452-66-8

Synonyms

(3aR,4R,5R,7S,8S,9R,9aS,12R) -8-hydroxy-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-5-yl 2- ((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) thio) acetate; [ (3-exo) -8-Methyl-8-azabicyclo[3.2.1]oct-3-yl]thio]acetic Acid; [ (3aS,4R,5S,6S,8R,9R,9aR,10R) -6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl Ester; Altabax; Altargo; Mutilin ; 14- (exo-8-Methyl-8-azabicyclo[3.2.1]oct-3-ylsulfanyl) acetate

Molecular Formula

C30H47NO4S

Molecular Weight

517.78

API Name

Retapamulin

Chemical Information

Retapamulin

Retapamulin is a carboxylic ester, a carbotricyclic compound and a cyclic ketone.

CAS Number	224452-66-8
PubChem CID	6918462
IUPAC Name	[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]acetate
Molecular Formula	C30H47NO4S
Molecular Weight	517.8
XLogP	6.1
Topological Polar Surface Area	92.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	36
Formal Charge	0
Complexity	895

SMILES

C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@H]5CC[C@@H](C4)N5C)C

InChI

InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1

InChIKey

STZYTFJPGGDRJD-FJJJPKKESA-N

Chemical Structure

2D Structure

CAS: 224452-66-8

CID: 6918462

Formula: C30H47NO4S

MW: 517.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	517.8
XLogP3	6.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	517.32258015
Monoisotopic Mass	517.32258015
Topological Polar Surface Area	92.1 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	895
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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
OR1026731-01	Retapamulin

Retapamulin

Chemical Information

Alternative Products

Popular Products