AG00E8PI

59122-46-2 | Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester,(11a,13E)-

AG00E8PI

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CAS Number	59122-46-2
Catalog Number	AG00E8PI(AGN-PC-0SRC0I)
Chemical Name	Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester,(11a,13E)-
IUPAC Name	methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
InChI	InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1
InChI Key	OJLOPKGSLYJEMD-URPKTTJQSA-N
MDL Number	MFCD00941433
Molecular Formula	C22H38O5
Molecular Weight	382.5341
SMILES	CCCCC(C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC)(O)C
Synonyms	Apo Misoprostol, Apo-Misoprostol, Cytotec, Glefos, Misoprostol, Misoprostol, (11alpha,13E)-Isomer, Misoprostol, (11alpha,13E,16R)-Isomer, Misoprostol, (11alpha,13Z)-(+-)-Isomer, Misoprostol, (11alpha.13E,16S)-Isomer, Misoprostol, (11beta,13E)-(+-)-Isomer, Misoprostol, (11beta,13E,16R)-Isomer, Misoprostol, (11beta,13E,16S)-Isomer, Novo Misoprostol, Novo-Misoprostol, SC 29333, SC 30249, SC-29333, SC-30249, SC29333, SC30249, misoprostol, 59122-46-2, Cytotec, Isprelor, Misoprostolum, Misoprostil, Misoprostolum [INN-Latin], SC-29333, Misodel, Misogon, SC 29333, CCRIS 6859, HSDB 3573, BRN 4155643, NCGC00162445-02, Misoprost, Misotol, methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate, Misopess, Misotac, GyMiso, Cytotec (TN), Methyl (+-)-11-alpha,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate, misoprostol (methyl ester), (11-alpha,13E)-(+-)-11,16-Dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid methyl ester, SR-01000695425, Misoprostol (JAN/USAN/INN), XP-16J, methyl (11alpha,13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate, MVI 200, Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (11alpha,13E)-, (+-)-Methyl (1R,2R,3R)-3-hydroxy-2-((E)-(4RS)-4-hydroxy-4-methyl-1-octenyl)-5-oxocyclopentaneheptanoate, methyl 7-((1R,2R,3R)-3-hydroxy-2-((E)-4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl)heptanoate, 11|A-Misoprostol, CAS_59122-46-2, Misoprostol [USAN:USP:INN:BAN:JAN], AC1NQZZA, DSSTox_CID_897, CHEMBL606, SCHEMBL7787, DSSTox_RID_75852, DSSTox_GSID_20897, MLS000028863, GTPL1936, DTXSID7020897, BDBM85606, CHEBI:94387, Misoprostol, >=99% (HPLC), OJLOPKGSLYJEMD-URPKTTJQSA-N, REGID_for_CID_5282381, HMS2090L10, HMS3648F03, HMS3715K08, EX-A1774, HY-B0610, Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (11alpha,13E)-(+-)-, MISOPROSTOL (1%) DISPERSION, Tox21_112010, MFCD00274550, (+/-)-15-Deoxy-(16RS)-16-hydroxy-16-methylprostaglandin E1 methyl ester, AKOS015899652, CCG-221093, CS-2828, DB00929, SMP1_000193, NCGC00162445-01, NCGC00162445-03, 103601-27-0, AN-10385, SC-17968, SMR000058558, CAS-59122-46-2, D00419, AB00513745-05, 122M462, A832173, Q-201409, SR-01000695425-2, SR-01000695425-4, BRD-A50310035-001-01-6, I14-11712, Misoprostol, European Pharmacopoeia (EP) Reference Standard, Misoprostol, United States Pharmacopeia (USP) Reference Standard, (+/-) methyl 11alpha, 16-dihydroxy-16-methyl-9-oxoprost-13E-en-1-oate, (+/-) methyl 11alpha,16-dihydroxy-16-methyl-9-oxoprost-13E-en-1-oate, (+/-) methyl-11alpha,16-dihydroxy-16-methyl-9-oxoprost-13E-en-1-oate, (+/-) methyl-11alpha,16-dihydroxy-16-methyl-9-oxoprost13E-en-1-oate, (+/-)-(11a,13E)-11,16-Dihydroxy-16-methyl-9-oxo-prost-13-en-1-oic acid methyl ester, (11alpha,13E)-11,16-Dihydroxy-16-methyl-9-oxoprosta-13-ene-1-oic acid methyl ester, Misoprostol for system suitability, European Pharmacopoeia (EP) Reference Standard, Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester,(11a,13E)-, 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid methyl ester, methyl 7-((1R,2R,3R)-3-hydroxy-2-((E)-4-hydroxy-4-methyloct-1-en-1-yl)-5-oxocyclopentyl)heptanoate, methyl 7-[(1R,2R,3R)-2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate, methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(1E)-4-hydroxy-4-methyloct-1-en-1-yl]-5-oxocyclopentyl]heptanoate, methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoate, Prost-?13-?en-?1-?oic acid, 11,?16-?dihydroxy-?16-?methyl-?9-?oxo-?, methyl ester, (11alpha,?13E)?-?, mixt. with cellulose 2-?hydroxypropyl methyl ether, Arthrotec, Glefos, Apo Misoprostol, Apo-Misoprostol, Novo Misoprostol, Novo-Misoprostol, Misoprostol (free acid), D09ANG, UNII-0E43V0BB57, 0E43V0BB57, C22H38O5, Misoprostol [USAN:BAN:INN:JAN], Misoprostol [USAN:INN:BAN:JAN], Misoprostol, (11alpha,13E)-Isomer, ACN-052235, C22-H38-O5, CID5282381, CS-O-01842, SC29333, SC30249, Misoprostol, (11beta,13E,16R)-Isomer, Misoprostol, (11beta,13E,16S)-Isomer, SC 30249, SC-30249, Misoprostol, (11alpha,13E,16R)-Isomer, Misoprostol, (11alpha.13E,16S)-Isomer, Misoprostol, (11beta,13E)-(+-)-Isomer, Misoprostol, (11alpha,13Z)-(+-)-Isomer, D016595, Prost-13-en-1-oic acid, 11,16-dihydroxy-16-methyl-9-oxo-, methyl ester, (11.alpha.,13E)-, (11alpha,13E)-(+-)-11,16-Dihydroxy-16-methyl-9-oxoprost-13-en-1-oic acid methyl ester, 62015-39-8,

Complexity	487
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	1
Exact Mass	382.272g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	382.541g/mol
Monoisotopic Mass	382.272g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	83.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H360
Packing Group	Ⅲ
Precautionary statements	P201-P264-P280-P301+P310+P330-P308+P313-P501
UN Code	UN 2810

Certificate of Analysis

Lot Number