AG000U58

130209-82-4 | 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 1-methylethyl ester, (5Z)-

AG000U58

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CAS Number	130209-82-4
Catalog Number	AG000U58(AGN-PC-0PJ57T)
Chemical Name	5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 1-methylethyl ester, (5Z)-
IUPAC Name	propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
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
InChI Key	GGXICVAJURFBLW-CEYXHVGTSA-N
MDL Number	MFCD00216074
Molecular Formula	C26H40O5
Molecular Weight	432.5928
SMILES	O=C(CCC/C=CC[C@@H]1[C@H]([C@@H](C[C@@H]1O)O)CC[C@H](CCC2=CC=CC=C2)O)OC(C)C
UNII	6Z5B6HVF6O
Synonyms	latanoprost, PhXA34, PHXA41, Xalatan, latanoprost, Xalatan, 130209-82-4, PhXA41, PHXA-41, PhXA 41, latanoprostum, UNII-6Z5B6HVF6O, XA41, XA-41, 6Z5B6HVF6O, CHEBI:6384, Isopropyl (Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((3R)-3-hydroxy-5-phenylpentyl)cyclopentyl)-5-heptenoate, MFCD00216074, propan-2-yl (5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl}hept-5-enoate, propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate, isopropyl (5Z,9alpha,11alpha,15R)-9,11,15-trihydroxy-17-phenyl-18,19,20-trinorprost-5-en-1-oate, Latanoprost [USAN:INN:BAN], Catioprost, XA 41, C26H40O5, (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptanoic acid 1-methylethyl ester, SMR000466354, Xalatan (TN), (15R)-Latanoprost, latanoprost (isopropyl ester), Nova-21027, Latanoprost (JAN/USAN/INN), GAAP Ofteno, PhXA34 [as 15(R,S)-isomer], AR-202, L-PPDS, AC1NSK8Q, Latanoprost, (+/-)-, CHEMBL1051, SCHEMBL24698, MLS000759468, MLS001424106, GTPL1961, Jsp001835, DTXSID1041057, GGXICVAJURFBLW-CEYXHVGTSA-N, HMS2051H11, HMS2089J17, HMS3715N22, 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl)-, 1-methylethyl ester, (1R-(1-alpha(Z),2-beta(R*),3-alpha,5-alpha))-, EX-A1770, HY-B0577, Isopropyl 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((R)-3-hydroxy-5-phenylpentyl)cyclopentyl)hept-5-enoate, ABP001061, BDBM50240648, s4709, ZINC12468792, Latanoprost, >=98% (HPLC), oil, AKOS024458331, AT-3016, CCG-100946, CS-2758, DB00654, NC00196, NCGC00246969-01, CPD000466354, Isopropyl (5Z,9alpha,11alpha,15R)-9,11,15-trihydroxy-17-phenyl-18,19,20-trinor-prost-5-en-1-oate, SAM001246671, SC-18987, AB2000019, TL8000716, L0262, ST24047444, D00356, T-2345, 33537-EP2295409A1, 33537-EP2311820A1, AB00640005-04, AB00640005-06, 209L824, A806039, SR-01000759428, J-005764, SR-01000759428-4, UNII-8S5FB3XXG8 component GGXICVAJURFBLW-CEYXHVGTSA-N, Latanoprost, United States Pharmacopeia (USP) Reference Standard, Tris(2,4-dimethylphenyl)phosphine-5,5',5""""-trisulfonic acid trisodium salt, (1R,2R,3R,5S,3''R)-7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenyl-pentyl)-cyclopentyl]-hept-5-enoic acid isopropyl ester, (5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic Acid 1-Methylethyl Ester, (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester, (Z)-isopropyl 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((R)-3-hydroxy-5-phenylpentyl)cyclopentyl)hept-5-enoate, 155551-81-8, 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl)-, 1-methylethyl ester, 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 1-methylethyl ester, (5Z)-, Isopropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate, Isopropyl-(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoate, propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoate, null, latanoprost free acid, Latanoprost (free acid), PhXA34, D0C6NM, UNII-8S5FB3XXG8, 8S5FB3XXG8, L1167_SIGMA, Latanoprost [USAN:BAN:INN], ACN-040047, C26-H40-O5, CID5311221, CS-O-01807, B3411, C072042, D000077338,

Complexity	526
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	1
Exact Mass	432.288g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	432.601g/mol
Monoisotopic Mass	432.288g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number