Travoprost-d4 acid

CAT: 0926-HLA55019-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-HLA55019-01Size:5 mg

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CAS Number

282550-19-0

Smiles

C1C (C (C (C1O) C=CC (COC2=CC=CC (=C2) C (F) (F) F) O) CC=CCCCC (=O) O) O

Molecular Formula

C23H29F3O6

Molecular Weight

462.5 g/mol

Controlled

Chemical Information

Fluprostenol-d4

CAS Number	282550-19-0
PubChem CID	131668015
IUPAC Name	(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular Formula	C23H29F3O6
Molecular Weight	462.5
XLogP	2.9
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	11
Heavy Atom Count	32
Formal Charge	0
Complexity	636

SMILES

[2H]C([2H])(CC(=O)O)C([2H])([2H])/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O

InChI

InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1/i2D2,4D2

InChIKey

WWSWYXNVCBLWNZ-YKZAICOVSA-N

Chemical Structure

2D Structure

CAS: 282550-19-0

CID: 131668015

Formula: C23H29F3O6

MW: 462.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	462.5
XLogP3	2.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	11
Exact Mass	462.21673011
Monoisotopic Mass	462.21673011
Topological Polar Surface Area	107 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	636
Isotope Atom Count	4
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
TRC-T715622-50MG	Travoprost-d4 Acid
RM-T180110-01	Travoprost Acid-D4
TRC-T715620-25MG	Travoprost Acid
AR-F09712-01	Docosanoic Acid-d4 (Behenic Acid-d4)
S0058-20	Salicylic Acid-d4 (2-Hydroxybenzoic Acid-d4)
MBS6058610-01	Clofibric-d4 Acid (2-(4-Chlorophenoxy-d4)-2-methylpropanoic Acid, Chlorophibrinic-d4 Acid, Arteriohom-d4, Regulipid-d4)
RM-T011501-01	Tauroursodeoxycholic Acid-D4 (Tauroursodiol-D4)
TRC-K200801-5MG	(±)-Ketoprofen-d4 (propionic-d4 acid)
AR-C02625-01	Tauroursodeoxycholic-d4 Acid (Tauroursodiol-d4)
AR-A02672-01	Acetylsalicylic Acid-d4 (Aspirin-d4)

Travoprost-d4 acid

Chemical Information

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