AG003AEY

84-80-0 | 1,4-Naphthalenedione,2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-

AG003AEY

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CAS Number	84-80-0
Catalog Number	AG003AEY(AGN-PC-0UU0MA)
Chemical Name	1,4-Naphthalenedione,2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-
IUPAC Name	2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione
InChI	InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
InChI Key	MBWXNTAXLNYFJB-NKFFZRIASA-N
MDL Number	MFCD00214063
Molecular Formula	C31H46O2
Molecular Weight	450.6957
NSC Number	760373
SMILES	CC=1C(C2=CC=CC=C2C(C1C\C=C(\CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)/C)=O)=O
UNII	S5Z3U87QHF
Synonyms	Aquamephyton, Konakion, Phyllohydroquinone, Phylloquinone, Phytomenadione, Phytonadione, Vitamin K 1, Vitamin K1, VITAMIN K1, phytonadione, 84-80-0, Phylloquinone, Phytomenadione, Phytylmenadione, 3-Phytylmenadione, Phyllochinon, alpha-Phylloquinone, Antihemorrhagic vitamin, Fitomenadiona, VitaminK1, 2-Methyl-3-phytyl-1,4-naphthoquinone, VITAMIN K, trans-Phylloquinone, UNII-S5Z3U87QHF, Phyllochinonum, Phytomenadionum, Phytonadionum, 2-Methyl-3-phytyl-1,4-naphthochinon, Vitamin K 1, MFCD00214063, Phythyl-menadion (GERMAN), S5Z3U87QHF, Fitomenadione, 2', 3'-trans-Vitamin K1, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione, Aqua-Mephytin, Phythyl-menadion, 11104-38-4, CHEBI:18067, MBWXNTAXLNYFJB-NKFFZRIASA-N, 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione, 79083-00-4, Phyllochinon [German], Fitomenadione [DCIT], Vitamin K1 (VAN), DSSTox_CID_3472, NSC 270681, 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione, DSSTox_RID_77041, DSSTox_GSID_23472, Fitomenadiona [INN-Spanish], Phytomenadionum [INN-Latin], 1,4-Naphthoquinone, 2-methyl-3-phytyl-, phylloquinone;2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE, HSDB 3162, C31H46O2, EINECS 201-564-2, 2-Methyl-3-phythyl-1,4-naphthochinon, CAS-84-80-0, Phytonadione, K1, Phylloquinone (8CI), 2-Methyl-3-phytyl-1,4-naphthochinon [German], 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, (R-(R*,R*-(E)))-, Phytonadione [USP:JAN], 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, 2-methyl-3-((7R,11R,E)-3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-dione, NCGC00159423-02, 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-, PQN, EINECS 234-330-3, EINECS 279-052-3, vitamin K1, 11, Vitamin K1 (generic), Vitamin K1 ,(S), AC1NR4R3, SCHEMBL3882, Vitamin K1 (Phylloquinone), Vitamin K1, viscous liquid, CHEMBL1550, MLS001074732, BIDD:GT0793, SCHEMBL351365, Vitamin K1 (E-Phytonadione), 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalened- ione, 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone #, DTXSID8023472, Phytonadione, (E)-(+/-)-, BDBM24782, [r-[r*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-napthalenedione, [r-[r*,R*-(E)]]-2-Methyl-3-(3-7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione, 1,4-Naphthalenedione, 2-methyl-3-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl)-, 1,4-Naphthalenedione, 2-methyl-3-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl)-, 1,4-Naphthalenedione,2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl]-, HMS2094G09, HMS2270J10, Pharmakon1600-01505485, phytonadione|||trans-Phylloquinone, HY-N0684, ZINC3831332, Tox21_111655, LMPR02030028, NSC760373, AKOS015841892, Tox21_111655_1, vitamin K hydroquinone (phylloquinone), AT-6461, CCG-213568, CS-6376, DB01022, EBD2157931, NSC-760373, (R*,R*-(E))-(1)-2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone, NCGC00159423-03, Phylloquinone (K1), analytical standard, AS-13734, BC206222, K516, SC-13299, SMR000112043, SBI-0206926.P001, TR-026208, A-8090, J10207, AB00698065_04, 214V063, A840928, SR-05000001941, Q-201934, SR-05000001941-1, W-108488, 2-methyl-3-((7R,11R,E)-3,7,11,15-tetramethylhexadec, 84C51B31-3CE2-476B-BE66-A84BDD46A513, UNII-A034SE7857 component MBWXNTAXLNYFJB-NKFFZRIASA-N, UNII-MLF3D1712D component MBWXNTAXLNYFJB-NKFFZRIASA-N, VITAMIN K1; 2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE, Phytomenadione, European Pharmacopoeia (EP) Reference Standard, Phytonadione, United States Pharmacopeia (USP) Reference Standard, 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone, Vitamin K1 solution, 10 mug/mL in ethanol, certified reference material, Vitamin K1, BioXtra, >=99.0% (sum of isomers, HPLC), mixtur of isomers, Phytonadione, Pharmaceutical Secondary Standard; Certified Reference Material, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione, Vitamin K1-13C6 solution, 5 mug/mL in ethanol, certified reference material, ampule of 1 mL, Konakion, Aquamephyton, Kinadion, Mephyton, Monodion, Kephton, Synthex P, Aqua mephyton, Mono-Kay, Combinal K1, Kativ N, K-Ject, phytylmenaquinone, phyllohydroquinone, Pediatrico, Kanakion, Kaywan, Orakay, Vitamin K1(20), Phylloquinone K1, Vitamin K-1, Vitamin K1 1g, Veda K1, Veta K1, .alpha.-Phylloquinone, 2',3'-trans-Vitamin K1, Vitamin K1/Phytonadione, Phytonadione [USAN:JAN], UNII-MLF3D1712D, MLF3D1712D, UNII-A034SE7857, -2-enyl)naphthalene-1,4-dione, 2'''' 3'-trans-Vitamin K1, Reduced Vitamin K (phylloquinone), 2-metil-3-fitil-1,4-naftoquinona, Vitamin K1, 98% - 1G 1g, 2-Methyl-3-phytyl-1 4-naphthoquinone, C31-H46-O2, CID5284607, CS-O-02565, D010837, [R*,R*-(E)]-(+-)-2-methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)-1,4-naphthoquinone, 1,4-naftalenodiona, 2-metil-3-[(2e, 7r, 11r)-3,7,11,15-tetrametil-2-hexadecen-1-il]-, 1,4-Naphthalenedione, 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]-, 14-Naphthalenedione 2-methyl-3-(371115-tetramethyl-2-hexadecenyl)-[R-[R*R*-(E)]]-, 14-Naphthalenedione 2-methyl-3-[(2E7R11R)-371115-tetramethyl-2-hexadecenyl]-(9CI), 2-Methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]-1,4-naphthalenedione, 1,4-Naftalenodione,2-metil-3-(3,7,11,15-tetrametil-2-hexadecenil)-[R-[R *, R *-(E )]]-, 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R,R-(E)]]-,

Complexity	696
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	1
Exact Mass	450.35g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	450.707g/mol
Monoisotopic Mass	450.35g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	34.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	10.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H225-H319
Packing Group
Precautionary statements	P210-P280-P305+P351+P338-P337+P313-P403+P235
UN Code	\N

Certificate of Analysis

Lot Number