PRODUCT NAME | CAS Registry Number |
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(5 suppliers)
Synonyms: ergotamine tartrate, CID6537504, NCGC00091935-01, 12'-Hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione, (2R,3R)-2,3-dihydroxybutanedioate (2:1) (salt)
Molecular Formula: | C70H75N10O16- | Molecular Weight: | 1312.401900 [g/mol] | H-Bond Donor: | 9 | H-Bond Acceptor: | 20 |
InChIKey: CJMJLDQKTOJACI-BGQAIRJTSA-M
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(3 suppliers)
Synonyms: Isoergotamine, Ergotaminine, Ergotamin, CID115248, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha,8alpha)-
Molecular Formula: | C33H35N5O5 | Molecular Weight: | 581.661500 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: XCGSFFUVFURLIX-BRMNWJGKSA-N
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(2 suppliers)
Synonyms: Ergotaminine methanesulfonate, CID3057691, LS-64549, Ergotamine, monomethanesulfonate (1:1) (salt), Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'-alpha,8-alpha)-, monomethanesulfonate (salt)
Molecular Formula: | C34H39N5O8S | Molecular Weight: | 677.767160 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 9 |
InChIKey: BTLDVNBXSZELNL-VIOHXRIZSA-N
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IUPAC Name: (6aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aR)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(6aR)-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide | CAS Registry Number: 8006-08-4
Synonyms: UNII-J6AIY5049X, J6AIY5049X, Ergotinine, Ergotoxinine
Molecular Formula: | C98H119N15O15 | Molecular Weight: | 1747.120 [g/mol] | H-Bond Donor: | 9 | H-Bond Acceptor: | 18 |
InChIKey: QOTUIZVGUVLMNQ-GJLSPIEVSA-N
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(6 suppliers)
Synonyms: Ecboline, Ergotoxin, CID3084035, LS-64562
Molecular Formula: | C28H33N5O5 | Molecular Weight: | 519.592120 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: XLMJRFCCCWFQRE-SJRQCXNHSA-N
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(5 suppliers)
IUPAC Name: (6aR)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;ethanesulfonic acid | CAS Registry Number: 8047-28-7
Synonyms: Ergotoxine esylate, Ecboline ethanesulfonate, Ergotoxine ethansulfonate, Ergotoxine ethanesulfonate, Erogtoxine ethanesulphonate, Ergotoxine, monoethanesulfonate (salt)
Molecular Formula: | C33H45N5O8S | Molecular Weight: | 671.810 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 9 |
InChIKey: SWXRNTKMPGEPMV-WKUNPOSJSA-N
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(1 supplier)
Synonyms: Dihydroergotoxine ethansulfonate, AC1MJ13Z, EINECS 215-752-7
Molecular Formula: | C37H47N5O8S | Molecular Weight: | 721.862780 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 9 |
InChIKey: YDANHMOFLZTOLJ-SCLRNGPVSA-N
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IUPAC Name: (6aR,9R)-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide | CAS Registry Number: 41645-63-0
Synonyms: UNII-JPP32X8UKL, JPP32X8UKL, Ergovalide, Ergoline-8-carboxamide, N-((1S)-1-(aminocarbonyl)-2-methylpropyl)-9,10-didehydro-6-methyl-, (8beta)-, Ergoline-8-carboxamide, N-(1-(aminocarbonyl)-2-methylpropyl)-9,10-didehydro-6-methyl-, (8beta(S))-
Molecular Formula: | C21H26N4O2 | Molecular Weight: | 366.465 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 3 |
InChIKey: MOJONCDRJGJHBT-XVSDVWIESA-N
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(6 suppliers)
Synonyms: Ergovaline, C29H35N5O5, CID104843, LS-174226, 12'-Hydroxy-2'-methyl-5'alpha-(1-methylethyl)-ergotaman-3',6',18-trione, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(1-methylethyl)-, (5'alpha)-, 12'-hydroxy-2'-methyl-5' alpha-(1-methylethyl)-ergotaman-3',6',18-trione
Molecular Formula: | C29H35N5O5 | Molecular Weight: | 533.618700 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: BGHDUTQZGWOQIA-VQSKNWBGSA-N
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(4 suppliers)
Synonyms: Ergovaline mesylate, Ergovaline methanesulphonate, Ergovaline, methanesulfonate, Ergovaline monomethanesulfonate, CID201198, LS-64569
Molecular Formula: | C30H39N5O8S | Molecular Weight: | 629.724360 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 9 |
InChIKey: NIQGSXHMSRFNPL-YQSRWRAYSA-N
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Synonyms: Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(1-methylethyl)-, (5'alpha,8alpha)-
Molecular Formula: | C29H35N5O5 | Molecular Weight: | 533.618700 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: BGHDUTQZGWOQIA-JSJUWEALSA-N
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(1 supplier)
Synonyms: Ergoxanthin
Molecular Formula: | C31H28O14 | Molecular Weight: | 624.551 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 14 |
InChIKey: SWIZJORSFXSOLY-UHFFFAOYSA-N
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IUPAC Name: 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol | CAS Registry Number: 95041-90-0
Synonyms: 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol, Erianin, NSC613744, SureCN1535646, CHEMBL10557, AC1L793C, CHEBI:107071, MolPort-003-987-477, B817373-K388, same as, ZINC01612328, NSC-613744, TL8005978, FT-0686606, Y0077, B817373-K346, Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]-
Molecular Formula: | C18H22O5 | Molecular Weight: | 318.364280 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 5 |
InChIKey: UXDFUVFNIAJEGM-UHFFFAOYSA-N
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(7 suppliers)
IUPAC Name: (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide | CAS Registry Number: 536748-46-6
Synonyms: eribaxaban, PD-0348292, 2phb, Eribaxaban (USAN), UNII-5FCH6YDY7Z, SureCN76436, CHEMBL476186, CHEBI:597500, (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide, DNC009125, PD-348, DB06920, PD 348292, PD-348292, PD0348292, PD 0348292, D08913, (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, N-(4-Chlorophenyl)-N-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidiine-1,2-dicarboxamide
Molecular Formula: | C24H22ClFN4O4 | Molecular Weight: | 484.907283 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: QQBKAVAGLMGMHI-WIYYLYMNSA-N
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(12 suppliers)
Synonyms: UNII-LR24G6354G, CHEBI:63587, 2-(3-Amino-2-hydroxypropyl)hexacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)11,15-18,21-24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo(3,2-i)furo(2',3'-5,6)pyrano(4,3-b)(1,4)dioxacyclopentacosin-5-(4H)-one, CHEMBL1683590, LR24G6354G, ER 086526, (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-bis(methylene)-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1(3,32).1(3,33).1(6,9).1(12,16).0(18,22).0(29,36).0(31,35)]hentetracontan-24-one, 441045-16-5
Molecular Formula: | C40H59NO11 | Molecular Weight: | 729.896560 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 12 |
InChIKey: UFNVPOGXISZXJD-JBQZKEIOSA-N
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IUPAC Name: (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-2-hydroxy-3-[[(2S)-2-hydroxy-3-[(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-21-methoxy-14-methyl-8,15-dimethylidene-24-oxo-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-20-yl]propyl]amino]propyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one | CAS Registry Number: 2408645-13-4
Synonyms: Eribulin Dimer Impurity
Molecular Formula: | C80H115NO22 | Molecular Weight: | 1442.800 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 23 |
InChIKey: ANOFFCZOLVRTSP-VCSYOIIJSA-N
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Synonyms: Halaven, Eribulin mesilate, UNII-AV9U0660CW, E7389, CHEBI:70710, Eribulin mesylate (USAN), Eribulin mesylate [USAN], E 7389, NSC-707389, Halaven (TN), Eribulin mesilate (JAN), AV9U0660CW, CHEMBL1683544, ER-086526, D08914, E-7389, (2R,3R,3aS,7R,8aS,9S,10aR,11S,12R,13aR,13bS,15S,18S,21S,24S,26R,28R,29aS)-2-((2S)-3-amino-2-hydroxypropyl)-3-methoxy-26-methyl-20,27-dimethylidenehexacosahydro-11,15:18,21:24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo(3,2-i)furo(2',3':5,6)pyrano(4,3-b)(1,4)dioxacyclopentacosin-5(4H)-one methanesulfonate (salt), 11,15:18,21:24,28-Triepoxy-7,9-ethano-12,15-methano-9H,15H-furo(3,2-i)furo(2',3':5,6)pyrano(4,3-b)(1,4)dioxacyclopentacosin-5(4H)-one, 2-((2S)-3- amino-2-hydroxypropyl)hexacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)-, 2R,3R,3aS,7R,8aS,9S,10aR,11S,12R,13aR,13bS,15S,18S,21S,24S,26R,28R,29aS)-, methanesulfonate (salt), 2-(3-amino-2-hydroxypropyl)hexacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)11,15-18,21-24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo(3,2-i)furo(2',3'-5,6)pyrano(4,3-b)(1,4)dioxacyclopentacosin-5-(4H)-one methanesulfonate
Molecular Formula: | C41H63NO14S | Molecular Weight: | 826.002220 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 15 |
InChIKey: QAMYWGZHLCQOOJ-WRNBYXCMSA-N
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(2 suppliers)
IUPAC Name: 2-[(2S,3S,4R,5R)-5-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-4-methoxy-3-[(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]acetaldehyde | CAS Registry Number: 1808153-90-3
Synonyms: 2-((2S,3S,4R,5R)-5-((S)-2,3-bis(tert-butyldimethylsilyloxy)propyl)-4-methoxy-3-(tosylmethyl)tetrahydrofuran-2-yl)acetaldehyde, T9JSZ73V5M, EX-A4873B, AMY12365, N16969, 3,6-Anhydro-2,4,7-trideoxy-8,9-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-5-O-methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-D-glycero-D-gulo-nonose
Molecular Formula: | C30H54O7SSi2 | Molecular Weight: | 615.000 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 7 |
InChIKey: KOLNCCOWEPGLNP-GRPMBEMWSA-N
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Synonyms: Eriamycin, Ericamycin, CID5488988, LS-64572
Molecular Formula: | C28H21NO8 | Molecular Weight: | 499.468240 [g/mol] | H-Bond Donor: | 5 | H-Bond Acceptor: | 8 |
InChIKey: AYAYSZMHAWZBCX-IGKIAQTJSA-N
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(5 suppliers)
IUPAC Name: 3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-4-chlorophenyl]cyclopent-2-en-1-one | CAS Registry Number: 85320-67-8
Synonyms: Ericolol, Ericolol [INN], UNII-38R2P4PIEI, CID208929
Molecular Formula: | C18H24ClNO3 | Molecular Weight: | 337.841060 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 4 |
InChIKey: QACGCDWSRFDWQO-UHFFFAOYSA-N
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