Latanoprost

CAT: 0572-TRC-L177280-50MGSize: 50 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-L177280-50MGSize:50 mg

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CAS Number

130209-82-4

Synonyms

5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 1-methylethyl ester, (5Z)-; (15R)-Latanoprost; GAAP Ofteno; Latanoprost; PhXA 41; XA 41; Xalatan; 5-Heptenoic acid, 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]-, 1-methylethyl ester, [1R-[1alpha(Z),2beta(R*),3alpha,5alpha]]-

Hazard Statement

Toxic if swallowed; UN number: UN2810; Packing Group: III

Purity

>95% (HPLC)

Smiles

CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc2ccccc2

Molecular Formula

C26 H40 O5

Molecular Weight

432.59

InChI

InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1

Additionnal Information

IUPAC name: propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Latanoprost

Latanoprost is a prostaglandin Falpha that is the isopropyl ester prodrug of latanoprost free acid. Used in the treatment of open-angle glaucoma and ocular hypertension. It has a role as an EC 4.2.1.1 (carbonic anhydrase) inhibitor, an antihypertensive agent, an antiglaucoma drug and a prodrug. It is a triol, an isopropyl ester and a prostaglandins Falpha. It is functionally related to a latanoprost free acid.

CAS Number	130209-82-4
PubChem CID	5311221
IUPAC Name	propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
Molecular Formula	C26H40O5
Molecular Weight	432.6
XLogP	4.3
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	14
Heavy Atom Count	31
Formal Charge	0
Complexity	526

SMILES

CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCC2=CC=CC=C2)O)O)O

InChI

InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3-/t21-,22+,23+,24-,25+/m0/s1

InChIKey

GGXICVAJURFBLW-CEYXHVGTSA-N

Chemical Structure

2D Structure

CAS: 130209-82-4

CID: 5311221

Formula: C26H40O5

MW: 432.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	432.6
XLogP3	4.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	14
Exact Mass	432.28757437
Monoisotopic Mass	432.28757437
Topological Polar Surface Area	87 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
B1320-5	Latanoprost

Latanoprost

Chemical Information

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