PRODUCT NAME | CAS Registry Number |
(4 suppliers)
IUPAC Name: methyl (1R,4aS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate | CAS Registry Number: 19907-21-2
Synonyms: Methyl 8,15-isopimaradienoate, GTFNGUBYWRFHMR-GFOJFJKKSA-N, Methyl 8,15-Isopimaradien-18-oate
Molecular Formula: | C21H32O2 | Molecular Weight: | 316.485 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 2 |
InChIKey: GTFNGUBYWRFHMR-GFOJFJKKSA-N
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(4 suppliers)
IUPAC Name: [(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-2-methylbut-2-enoate | CAS Registry Number: 18455-98-6
Molecular Formula: | C22H30O6 | Molecular Weight: | 390.476 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 6 |
InChIKey: AVAGQVZSHJYDED-RRIKAWJQSA-N
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(3 suppliers)
IUPAC Name: [(2R,3aR,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] 3-[(R)-methylsulfinyl]prop-2-enoate | CAS Registry Number: 226711-23-5
Molecular Formula: | C21H28O7S | Molecular Weight: | 424.508 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 8 |
InChIKey: NOBDIGGORMPBLK-SKQIGGBSSA-N
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(2 suppliers)
IUPAC Name: [(1R,2R,3aR,4S,7S,7aR)-3a,4-dimethyl-4'-methylidene-7-[(Z)-3-methylsulfanylprop-2-enoyl]oxy-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl] (Z)-2-methylbut-2-enoate | CAS Registry Number: 915289-60-0
Synonyms: BakkenolideIIIa
Molecular Formula: | C24H32O6S | Molecular Weight: | 448.574 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 7 |
InChIKey: LWJFULOPSWJZSL-BZNVVBPTSA-N
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(2 suppliers)
IUPAC Name: (E)-1-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one | CAS Registry Number: 84575-13-3
Synonyms: AC1O52L5, MolPort-039-338-844, LMPK12120034, (2E)-1-[[2-(1-Methyl-1-hydroxyethyl)-4-hydroxy-2,3-dihydrobenzofuran]-5-yl]-3-(4-hydroxyphenyl)-2-propene-1-one, (E)-1-[4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrobenzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one, (E)-1-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one, 1-[2-(2-Hydroxypropane-2-yl)-4-hydroxy-2,3-dihydrobenzofuran-5-yl]-3-(4-hydroxyphenyl)-2-propene-1-one, 4,2'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)-2'',3''-dihydrofuranol(4'',5'':3',4)chalcone
Molecular Formula: | C20H20O5 | Molecular Weight: | 340.375 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 5 |
InChIKey: ZRPXWNBCRBPVHB-WEVVVXLNSA-N
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(6 suppliers)
IUPAC Name: furo[2,3-f]chromen-7-one | CAS Registry Number: 4412-93-5
Synonyms: Coumarino-5,6-furan, AC1MJ1EO, furo[2,3-f]chromen-7-one, CHEMBL499847, CHEBI:582642, AKOS006330699, 7H-Furo(2,3-f)(1)benzopyran-7-one
Molecular Formula: | C11H6O3 | Molecular Weight: | 186.163540 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 3 |
InChIKey: HMUJHZNYHJMOHR-UHFFFAOYSA-N
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(16 suppliers) | |
(1 supplier)
IUPAC Name: [2-[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]pyridin-3-yl]methyl 2-(methylamino)acetate;chloride;hydrochloride | CAS Registry Number: 497235-79-7
Synonyms: RO-0098557, BAL-8557, AC1OCFMP, Isavuconazonium chloride, UNII-HZQ5R80I6Y, BAL 9557, Isavuconazonium chloride hydrochloride, RO 0098557, [2-[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]pyridin-3-yl]methyl 2-(methylamino)acetate chloride hydrochloride, Glycine, N-methyl-, (2-(((1-(1-((2R,3R)-3-(4-(4-cyanophenyl)-2-thiazolyl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-1H-1,2,4-triazolium-4-yl)ethoxy)carbonyl)methylamino)-3-pyridinyl)methyl ester, chloride, monohydrochloride
Molecular Formula: | C35H36Cl2F2N8O5S | Molecular Weight: | 789.678746 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 14 |
InChIKey: QELOMWCWBPJMAS-XFERGYADSA-M
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(0 suppliers) | |
(1 supplier)
IUPAC Name: (2S)-2,6-diamino-N-[4-[2-[2-[4-(2-cyanoethylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetyl]phenyl]hexanamide;dihydrochloride | CAS Registry Number: 1387574-54-0
Synonyms: UNII-5BQ16RIM5D, 5BQ16RIM5D, Lisavanbulin dihydrochloride, BAL-101553 dihydrochloride, Hexanamide, 2,6-diamino-N-(4-(2-(2-(4-((2-cyanoethyl)amino)-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl)acetyl)phenyl)-, hydrochloride (1:2), (2S)-
Molecular Formula: | C26H31Cl2N9O3 | Molecular Weight: | 588.494 [g/mol] | H-Bond Donor: | 6 | H-Bond Acceptor: | 10 |
InChIKey: AOKATNWVGVIXOQ-TXEPZDRESA-N
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(4 suppliers)
IUPAC Name: 2-[(7-fluoro-9-oxoxanthen-2-yl)sulfonyl-methylamino]acetic acid | CAS Registry Number: 124066-40-6
Synonyms: 2-[(7-fluoro-9-oxoxanthen-2-yl)sulfonyl-methylamino]acetic acid, Bal-ari8, AC1L2WSH, SureCN1817820, 7-Fluoro-2-(N-methyl-N-carboxymethyl)sulfamoyl xanthone, N-((7-Fluoro-9-oxo-9H-xanthen-2-yl)sulfonyl)-N-methylglycine, Glycine, N-((7-fluoro-9-oxo-9H-xanthen-2-yl)sulfonyl)-N-methyl-
Molecular Formula: | C16H12FNO6S | Molecular Weight: | 365.332983 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 8 |
InChIKey: SXDYWXILYKTCNW-UHFFFAOYSA-N
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(3 suppliers)
IUPAC Name: 3-[[4-[1-[2-(4-aminophenyl)-2-oxoethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]amino]propanenitrile | CAS Registry Number: 798577-91-0
Synonyms: 4o2a, SCHEMBL1160317, CHEMBL3422109, LSFOZQQVTWFMNS-UHFFFAOYSA-N, BAL-27862, ZINC38331604, AKOS030628483, BA27862, 2RR, 3-(4-{1-[2-(4-Amino-phenyl)-2-oxo-ethyl]-1H-benzoimidazol-2-yl}-furazan-3-ylamino)-propionitrile, 3-[(4-{1-[2-(4-Aminophenyl)-2-Oxoethyl]-1h-Benzimidazol-2-Yl}-1,2,5-Oxadiazol-3-Yl)amino]propanenitrile
Molecular Formula: | C20H17N7O2 | Molecular Weight: | 387.403 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 8 |
InChIKey: LSFOZQQVTWFMNS-UHFFFAOYSA-N
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(1 supplier) | |
(5 suppliers)
IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-methoxy-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile | CAS Registry Number: 863029-99-6
Synonyms: Balamapimod (USAN), SureCN2965207, UNII-7Y0IV7N95Q, AGN-PC-009X4L, CHEMBL2104954, MKI-833, D06559, 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-methoxy-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
Molecular Formula: | C30H32ClN7OS | Molecular Weight: | 574.139380 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 8 |
InChIKey: CVAKNHIXTWLGJO-UHFFFAOYSA-N
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(1 supplier)
IUPAC Name: aluminum;dimagnesium;carbonate;pentahydroxide | CAS Registry Number: 64721-20-6
Synonyms: Balancid, Novaluzid, AC1L5AT7, aluminum dimagnesium carbonate pentahydroxide, Carbonic acid, magnesium salt (1:1), mixt. with aluminum hydroxide (Al(OH)3) and magnesium hydroxide (Mg(OH)2)
Molecular Formula: | CH5AlMg2O8 | Molecular Weight: | 220.637139 [g/mol] | H-Bond Donor: | 5 | H-Bond Acceptor: | 8 |
InChIKey: RCIVDVHWDMCMKT-UHFFFAOYSA-G
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(2 suppliers)
Synonyms: Balanitoside, AC1L44UX, AGN-PC-0069CR, (3beta)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl-O-6-deoxy-alphANLG -L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranoside, 26-(hexopyranosyloxy)-22-hydroxyfurost-5-en-3-yl 6-deoxyhexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranoside, 26-O-beta-D-Glucopyranosyl-3beta,22,26-trihydroxyfurost-5-ene 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranoside, 55639-71-9, beta-D-Glucopyranoside, (3beta)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-, beta-D-Glucopyranoside, (3beta,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-
Molecular Formula: | C51H84O23 | Molecular Weight: | 1065.198860 [g/mol] | H-Bond Donor: | 14 | H-Bond Acceptor: | 23 |
InChIKey: RPYHJEFMMXMMHG-UHFFFAOYSA-N
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(9 suppliers)
IUPAC Name: (4Z)-4-[(2-carboxy-6-hydroxyphenyl)-hydroxymethylidene]-3-hydroxy-1-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]-2,3,4,5-tetrahydro-1H-azepin-4-yl]-5-oxocyclohex-2-ene-1-carboxylic acid | CAS Registry Number: 63590-19-2
Synonyms: Ophiocordin, balanol, CID5490846, Benzoic acid, 4-(2-(((hexahydro-4-((4-hydroxybenzoyl)oxy)-1H-azepin-3-yl)amino)carbonyl)-6-hydroxybenzoyl)-3,5-dihydroxy-
Molecular Formula: | C28H26N2O10 | Molecular Weight: | 550.513440 [g/mol] | H-Bond Donor: | 8 | H-Bond Acceptor: | 11 |
InChIKey: AAHDJEGSJGYRGS-IHYXAKMNSA-N
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(5 suppliers)
IUPAC Name: 3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal | CAS Registry Number: 118916-57-7
Synonyms: BALAPHONIN, HE300363
Molecular Formula: | C20H20O6 | Molecular Weight: | 356.374 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 6 |
InChIKey: GWCSSLSMGCFIFR-UHFFFAOYSA-N
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(10 suppliers)
IUPAC Name: (7-formylcyclopenta[c]pyran-4-yl)methyl acetate | CAS Registry Number: 18234-46-3
Synonyms: Baldrinal, CCRIS 2663, BRN 5942017, CID159846, LS-58151, 4-(Hydroxymethyl)cyclopenta(c)pyran-7-carboxaldehyde acetate, Cyclopenta(c)pyran-7-carboxaldehyde, 4-(hydroxymethyl)-, acetate, Cyclopenta(c)pyran-7-carboxaldehyde, 4-((acetyloxy)methyl)-, Cyclopenta[c]pyran-7-carboxaldehyde, 4-[(acetyloxy)methyl]-, Cyclopenta(c)pyran-7-carboxaldehyde, 4-((acetyloxy)methyl)- (9CI), Cyclopenta[c]pyran-7-carboxaldehyde, 4-(hydroxymethyl)-, acetate
Molecular Formula: | C12H10O4 | Molecular Weight: | 218.205400 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 4 |
InChIKey: QIUOVIRIFZOCLL-UHFFFAOYSA-N
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(5 suppliers)
Synonyms: balhimycin, DB04111
Molecular Formula: | C66H73Cl2N9O24 | Molecular Weight: | 1447.237720 [g/mol] | H-Bond Donor: | 18 | H-Bond Acceptor: | 26 |
InChIKey: WKNFBFHAYANQHF-QITLWLKTSA-N
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(12 suppliers)
IUPAC Name: N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide | CAS Registry Number: 354813-19-7
Synonyms: UNII-E00MVC7O57, CHEMBL371064, CID10201696, AAE 581, AAE-581, DCL000714, N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl)benzamide, KB-74846
Molecular Formula: | C23H33N5O2 | Molecular Weight: | 411.540420 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: LLCRBOWRJOUJAE-UHFFFAOYSA-N
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(1 supplier)
IUPAC Name: 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(1S,3R,4R,6S,7S)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-7-[[(1S,3R,4R,6S,7S)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-7-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(1S,3R,4R,6S,7S)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[(1S,3R,4R,6S,7S)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-1-[[[(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-[[hydroxy-[(2R,3R,4R,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]-4-(2-methoxyethoxy)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 1698048-23-5
Synonyms: Baliforsen [USAN], IONIS 598769
Molecular Formula: | C180H240N59O90P15S15 | Molecular Weight: | 5616.000 [g/mol] | H-Bond Donor: | 36 | H-Bond Acceptor: | 127 |
InChIKey: KAXINNXKJSFUQD-DLBGVQEBSA-N
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(1 supplier)
IUPAC Name: pentadecasodium;[(2R,3R,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(1S,3R,4R,6S,7S)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-7-[[(1S,3R,4R,6S,7S)-3-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-7-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(1S,3R,4R,6S,7S)-7-[[(1S,3R,4R,6S,7S)-7-[[(2R,3R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-3-(6-aminopurin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-3-(2-amino-6-oxo-1H-purin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxyoxolan-2-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxyoxolan-2-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-hydroxy-sulfidophosphaniumyl]oxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxy-[(2R,3R,4R,5R)-2-(hydroxymethyl)-4-(2-methoxyethoxy)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfidophosphanium | CAS Registry Number: 1687746-79-7
Synonyms: Baliforsen sodium, Ionis-598769
Molecular Formula: | C180H240N59Na15O90P15S15+15 | Molecular Weight: | 5961.000 [g/mol] | H-Bond Donor: | 36 | H-Bond Acceptor: | 127 |
InChIKey: BQIRWUYCQDIAQA-DEBWEYBYSA-N
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(1 supplier)
Synonyms: C09065, AC1L9C3B
Molecular Formula: | C32H50O8 | Molecular Weight: | 562.734600 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 8 |
InChIKey: JGUYJMIAKPTIAH-MTAILJIJSA-N
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(2 suppliers)
IUPAC Name: 3-[(1R,4S,7S,10S,16S,22R,25S,28S,31S,34R,37S,40S,43S,46R,52S,55S)-25-(4-aminobutyl)-43-(2-aminoethyl)-40-(3-carbamimidamidopropyl)-55-(hydroxymethyl)-10,31,37-tris[(4-hydroxyphenyl)methyl]-7-(1H-imidazol-5-ylmethyl)-4,52-dimethyl-3,8,11,17,23,26,29,32,35,38,39,42,45,51,54,57-hexadecaoxo-59,60-dithia-2,5,6,9,12,18,24,27,30,33,36,41,44,50,53,56-hexadecazapentacyclo[32.23.4.012,16.018,22.046,50]henhexacontan-28-yl]propanamide | CAS Registry Number: 1051366-32-5
Synonyms: balixafortide, POL6326, Balixafortide [INN], Balixafortide [USAN], Balixafortide(POL6326), Balixafortide (POL6326), GTPL11587, POL 6326, POL-6326, WHO 9915, S9725, Ala-cys-ser-ala-pro-arg-tyr-cys-tyr-gln-lys-pro-pro-tyr-his cyclic (2->9)-disulfide, Cyclo(L-alanyl-L-cysteinyl-L-seryl-L-alanyl-D-prolyl-(2S)-2,4-diaminobutanoyl-L-arginyl-L-tyrosyl-L-cysteinyl-L-tyrosyl-L-glutaminyl-L-lysyl-D-prolyl-L-prolyl-L-tyrosyl-L-histidyl), cyclic (2->9)-disulfide
Molecular Formula: | C84H118N24O21S2 | Molecular Weight: | 1864.100 [g/mol] | H-Bond Donor: | 24 | H-Bond Acceptor: | 29 |
InChIKey: OYWQJZAVFWOOBF-WBMPNIIXSA-N
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(1 supplier)
Synonyms: SCHEMBL8885745
Molecular Formula: | C20H22O5 | Molecular Weight: | 342.391 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: BAQUTBLEBXGWDT-LFGUQSLTSA-N
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(1 supplier) | |
(1 supplier)
IUPAC Name: (1S,3R,4R,4aS,8S,8aS)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one | CAS Registry Number: 63543-36-2
Molecular Formula: | C20H30O5 | Molecular Weight: | 350.455 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 5 |
InChIKey: ACMWVFQSRHHUMC-JURWRUKOSA-N
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(44 suppliers)
IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid | CAS Registry Number: 127294-70-6
Synonyms: Balofloxacin [INN], AIDS097624, AIDS-097624, CID65958, Q 35, NCGC00167532-01, LS-141556, TL8000675, (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)-1-piperidinyl)-4-oxo-, (+-)-1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(3-(methylamino)piperidino)-4-oxo-3-quinoline arboxylic acid
Molecular Formula: | C20H24FN3O4 | Molecular Weight: | 389.420663 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 8 |
InChIKey: MGQLHRYJBWGORO-UHFFFAOYSA-N
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(2 suppliers)
IUPAC Name: 8-chloro-5-methyl-1-(4-pyridin-2-yloxycyclohexyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine | CAS Registry Number: 1228088-30-9
Synonyms: UNII-RAX5D5AGV6, RAX5D5AGV6, Balovaptan [INN], Balovaptan [USAN], SCHEMBL2471320, SCHEMBL3329710, SCHEMBL3332136, HY-109024, RO5285119, CS-0030526
Molecular Formula: | C22H24ClN5O | Molecular Weight: | 409.918 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 5 |
InChIKey: GMPZPHGHNDMRKL-UHFFFAOYSA-N
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(10 suppliers)
IUPAC Name: (3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione | CAS Registry Number: 1985605-59-1
Synonyms: Baloxavir, UNII-4G86Y4JT3F, 4G86Y4JT3F, E4Z, Baloxavir (USAN), SCHEMBL20101933, EX-A2723, HY-109025A, CS-0039267, D11278, 1H-(1,4)Oxazino(3,4-C)pyrido(2,1-F)(1,2,4)triazine-6,8-dione, 12-((11S)-7,8-difluoro-6,11-dihydrodibenzo(b,E)thiepin-11-yl)-3,4,12,12a-tetrahydro-7-hydroxy-, (12aR)-
Molecular Formula: | C24H19F2N3O4S | Molecular Weight: | 483.500 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 9 |
InChIKey: FIDLLEYNNRGVFR-CTNGQTDRSA-N
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(0 suppliers)
IUPAC Name: (3R)-11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione | CAS Registry Number: 2136287-67-5
Synonyms: 1H-[1,4]Oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione, 7-(hexyloxy)-3,4,12,12a-tetrahydro-, (12aR)-, SCHEMBL20924703
Molecular Formula: | C16H23N3O4 | Molecular Weight: | 321.370 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 6 |
InChIKey: VYAAQVJEPLIPQB-ZDUSSCGKSA-N
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(9 suppliers)
Synonyms: UNII-505CXM6OHG, 505CXM6OHG, Xofluza (TN), Baloxavir marboxil [INN], Baloxavir marboxil (JAN/INN), SCHEMBL20108731, HY-109025, CS-0030527, D11021, (((12aR)-12-((11S)-7,8-Difluoro-6,11-dihydrodibenzo(b,E)thiepin-11-yl)-6,8-dioxo-3,4,6,8,12,12ahexahydro-1H-(1,4)oxazino(3,4-C)pyrido(2,1-F)(1,2,4)triazin-7-yl)oxy)methyl methyl carbonate, Carbonic acid, (((12aR)-12-((11S)-7,8-difluoro-6,11-dihydrodibenzo(b,E)thiepin-11-yl)-3,4,6,8,12,12a-hexahydro-6,8-dioxo-1H-(1,4)oxazino(3,4-C)pyrido(2,1-F)(1,2,4)triazin-7-yl)oxy)methyl methyl ester
Molecular Formula: | C27H23F2N3O7S | Molecular Weight: | 571.552 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 12 |
InChIKey: RZVPBGBYGMDSBG-GGAORHGYSA-N
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(1 supplier)
IUPAC Name: 7-fluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol | CAS Registry Number: 1820001-72-6
Synonyms: 7-Fluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol, SCHEMBL21183638, CS-0080545
Molecular Formula: | C14H11FOS | Molecular Weight: | 246.300 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 3 |
InChIKey: VGDNIFFFGHJGRF-UHFFFAOYSA-N
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(1 supplier) | |