PRODUCT NAME | CAS Registry Number |
(6 suppliers)
IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one | CAS Registry Number: 1654820-87-7
Synonyms: UNII-29446230GA, 29446230GA, Ibrutinib metabolite, Ibrutinib metabolite M37, SCHEMBL17457268, PCI-45227, 1-Propanone, 1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)-1-piperidinyl)-2,3-dihydroxy-
Molecular Formula: | C25H26N6O4 | Molecular Weight: | 474.521 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 8 |
InChIKey: NWKPMPRXJGMTKQ-DIAVIDTQSA-N
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(7 suppliers)
Molecular Formula: | C23H31NO7 | Molecular Weight: | 433.501 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 8 |
InChIKey: SCWUZSBREAMJGL-XLSOAHDVSA-N
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(7 suppliers)
IUPAC Name: N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-6-methylheptanamide | CAS Registry Number: 126463-64-7
Molecular Formula: | C20H36N2O6 | Molecular Weight: | 400.509640 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 6 |
InChIKey: IUDBVFIQSSOIDB-TWOQFEAHSA-N
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(1 supplier) | |
(4 suppliers)
Synonyms: Dihydroergocornine, Ergocornine, dihydro-, 9,10-Dihydroergocornine, Prestwick0_000569, Prestwick1_000569, Prestwick3_000569, UNII-IK4C1OC8NE, Ergocornine, 9,10-dihydro-, Ergocornine, dihydro- (7CI), SPBio_002577, BPBio1_000394, EINECS 246-992-0, D.H.O. 180, CID168871, PDSP2_001087, LS-64287, 9,10-Dihydro-12'-hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione (5'alpha,10alpha)-, Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'alpha,10alpha)-
Molecular Formula: | C31H41N5O5 | Molecular Weight: | 563.687740 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: SEALOBQTUQIVGU-QNIJNHAOSA-N
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(2 suppliers)
Synonyms: Dihydroergocornine tartrate, Ergocornine, dihydro-, tartrate
Molecular Formula: | C35H47N5O11 | Molecular Weight: | 713.774580 [g/mol] | H-Bond Donor: | 7 | H-Bond Acceptor: | 12 |
InChIKey: JQWRQBBKTLZMBN-DEAFZEICSA-N
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(6 suppliers)
Synonyms: Dihydroergocristine, Dihydroergocristin, Ergocristine, dihydro-, nchembio.307-comp8, 9,10-Dihydroergocristine, Prestwick0_000562, Prestwick1_000562, Prestwick2_000562, Prestwick3_000562, Dihydroergocristine (BAN), Ergocristine, 9,10-dihydro-, CCRIS 4027, UNII-05D48LUM4Z, Lopac0_000409, BSPBio_000344, SPBio_002563, GNF-Pf-3462, BPBio1_000380, STOCK1N-23631, EINECS 241-493-4
Molecular Formula: | C35H41N5O5 | Molecular Weight: | 611.730540 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: DEQITUUQPICUMR-HJPBWRTMSA-N
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(5 suppliers)
Synonyms: Dihydroergocristinmesilat, UNII-DS7CL18UAM, Dihydroergocristinmesilat [German], Dihydroergocristine Monomesylate, EINECS 246-434-6, C35H41N5O5.CH4O3S, Ergocristine, dihydro-, methanesulfonate, CID115043, 9,10-Dihydroergocristine methanesulfonate, LS-64539, Ergocristine, 9,10-dihydro-, monomethanesulfonate (salt), 5'alpha-Benzyl-9,10alpha-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate, Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,10alpha)-, monomethanesulfonate (salt), Ergotamane-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'-alpha,10-alpha)-, monomethanesulfonate (salt), 24730-10-7, 25377-54-2, 27400-83-5, 29261-92-5, Ergotamane-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-,(5'-alpha,10-alpha)-, monomethanesulfonate (salt)
Molecular Formula: | C36H45N5O8S | Molecular Weight: | 707.836200 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 9 |
InChIKey: RTGJWLCUQHMLOZ-SPZWACKZSA-N
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(11 suppliers)
Synonyms: Diertine, Dihydroergocristine, Diertine (TN), Prestwick_745, Dihydroergocristine mesilate, D155_SIGMA, DIHYDROERGOCRISTINE MESYLATE, MLS000069354, MLS001076298, MLS001333686, MLS002222256, MolPort-000-763-385, Dihydroergocristine methanesulfonate, HMS1569B06, PHAR094403, Dihydroergocristine mesilate (BAN), CID444034, Dihydroergocristine methanesulfonate salt, NCGC00025380-03, SMR000058240
Molecular Formula: | C36H45N5O8S | Molecular Weight: | 707.836200 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 9 |
InChIKey: SPXACGZWWVIDGR-SPZWACKZSA-N
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(5 suppliers)
Synonyms: Dihydroergocryptine, Dihydroergokryptine, UNII-202229IR8Y, EINECS 246-993-6, CID114948, PDSP2_001088, LS-186448, LS-187074, LS-187682, D07835, 12'-Hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)-9,10alpha-dihydroergotaman-3',6',18-trione, Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'alpha,10alpha)-
Molecular Formula: | C32H43N5O5 | Molecular Weight: | 577.714320 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: PBUNVLRHZGSROC-VTIMJTGVSA-N
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(4 suppliers)
Synonyms: Dihydroergonine, CID193205, 2'-Ethyl-9,10-dihydro-12'-hydroxy-5'-(1-methylethyl)ergotaman-3',6',18-trione
Molecular Formula: | C30H39N5O5 | Molecular Weight: | 549.661160 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: QKMRPKVJXKAXHL-OLNIQZLRSA-N
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(7 suppliers)
Synonyms: Dihydroergostin, CID193378, DE-145, Ergotaman-3',6',18-trione, 2'-ethyl-9,10-dihydro-12'-hydroxy-5'-(phenylmethyl)-, (5'alpha,10alpha)-
Molecular Formula: | C34H39N5O5 | Molecular Weight: | 597.703960 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: DFWHWFLWRXBPGX-UHFAATNVSA-N
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(5 suppliers)
Synonyms: dihydroergotamine, Dehydroergotamine, Dihydergot, Ergomimet, Orstanorm, Seglor, Dihydroergotoxin, Co-Dergocrine, Ergotoxine, dihydro-, 9,10-Dihydroergotamine, Diidroergotamina [DCIT], DIHYDROERGOTOXINE, Spectrum_001057, Dihydroergotamine mesylate, Ergoloid dihydroergotoxine, Spectrum2_001188, Spectrum3_000395, Spectrum4_000958, Spectrum5_000905, 9,10-dihydro-ergotamine
Molecular Formula: | C33H37N5O5 | Molecular Weight: | 583.677380 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 7 |
InChIKey: LUZRJRNZXALNLM-JGRZULCMSA-N
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(11 suppliers)
Synonyms: Dihydergot, Dihytamine, Migranal, DETMS, Migranal (TN), Dihydroergotamine mesilate, EMBOLEX, DHE-45, 9,10-Dihydroergotamine mesylate, Dihydroergotamine methanesulfonate, SPECTRUM1500248, Dihydroergotamine mesylate [USAN], Dihydroergotamine mesylate (USP), EINECS 228-235-6, Dihydroergotamine monomethanesulfonate, C33H37N5O5.CH4O3S, MT 300, Dihydroergotamine mesilate (JP15), D.H.E. 45, LS-64558
Molecular Formula: | C34H41N5O8S | Molecular Weight: | 679.783040 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 10 |
InChIKey: ADYPXRFPBQGGAH-UMYZUSPBSA-N
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(2 suppliers)
Synonyms: Dihydergot, dihydroergotamine, CID517557, Ergotamine, dihydro, methanesulfonate (salt)
Molecular Formula: | C34H41N5O8S | Molecular Weight: | 679.783040 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 9 |
InChIKey: ADYPXRFPBQGGAH-UHFFFAOYSA-N
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(6 suppliers)
Synonyms: Divegal, Divegal (TN), Dihydroergotamine tartrate, 9,10-Dihydroergotamine tartrate, Dihydroergotamine tartrate (2:1), EINECS 227-816-1, CID3037136, Ergotamine, dihydro-, tartrate (2:1)(salt), LS-64559, D07838, Bis(5'alpha-benzyl-9,10alpha-dihydro-12'-hydroxy-2'-methylergotaman-3',6',18-trione) (R-(R*,R*))-tartrate
Molecular Formula: | C70H80N10O16 | Molecular Weight: | 1317.441600 [g/mol] | H-Bond Donor: | 10 | H-Bond Acceptor: | 18 |
InChIKey: AYYQJUDESMECLY-QCMZQTNXSA-N
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(3 suppliers)
IUPAC Name: 2-[2,3-dichloro-4-(2-methylbutanoyl)phenoxy]acetic acid | CAS Registry Number: 5378-94-9
Synonyms: Dihydroethacrynate, CHEBI:231885, CID165310, L593-511, (2,3-Dichloro-4-(2-methylbutyryl)phenoxy)acetic acid, (2,3-Dichloro-4-(2-methyl-1-oxobutyl)phenoxy)acetic acid, [2,3-Dichloro-4-(2-methyl-butyryl)-phenoxy]-acetic acid, [2,3-Dichloro-4-(2-methyl-butyryl)-phenoxy]-acetic acid(Dihydroethacrynic acid)
Molecular Formula: | C13H14Cl2O4 | Molecular Weight: | 305.153860 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: MBIDVLCHMJNEAM-UHFFFAOYSA-N
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(12 suppliers)
IUPAC Name: 5-ethyl-6-phenyl-6H-phenanthridine-3,8-diamine | CAS Registry Number: 104821-25-2
Synonyms: Hydroethidine, AmbtgH12500, D7008_SIAL, 37291_FLUKA, 37291_SIGMA, MolPort-000-003-923, CID128682, H12500, 2,7-Diamino-10-ethyl-9-phenyl-9,10-dihydrophenanthridine, 3,8-Diamino-5,6-dihydro-5-ethyl-6-phenylphenanthridine, 3,8-Phenanthridinediamine, 5-ethyl-5,6-dihydro-6-phenyl-, (+-)-, 38483-26-0, DHE
Molecular Formula: | C21H21N3 | Molecular Weight: | 315.411540 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 3 |
InChIKey: XYJODUBPWNZLML-UHFFFAOYSA-N
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(2 suppliers)
Synonyms: Dihydroetorphine, 18,19-Dihydroetorphine, Dihydroetorphine hydrochloride, C25H35NO4, MolPort-004-285-929, CID107765, PDSP2_001434, DB01450, LS-173188, Tetrahydro-7alpha-(1-hydroxy-1-methylbutyl)-6,14-endo-ethanooripavine, 7,8-Dihydro-7alpha-(1-(R)-hydroxy-1-methylbutyl)-6,14-endo-ethanotetrahydrooripavine, 6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,17-dimethyl-alpha-propyl-, (5alpha,7alpha(R))-, 6,14-Ethenomorphinan-7-methanol, 4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-alpha,17-dimethyl-alpha-propyl-, (alphaR,5alpha,7alpha)-, DHE, 82068-94-8
Molecular Formula: | C25H35NO4 | Molecular Weight: | 413.549700 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: BRTSNYPDACNMIP-FAWZKKEFSA-N
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(16 suppliers)
IUPAC Name: 2-methoxy-4-propylphenol | CAS Registry Number: 2785-87-7
Synonyms: Guaiacylpropane, Coerulignol, Cerulignol, 4-Propylguaiacol, p-Propylguaiacol, p-n-Propylguaiacol, Propylguaiacol, p-, Guaiacol, 4-propyl-, 4-Propyl-2-methoxyphenol, Phenol, 2-methoxy-4-propyl-, 4-Propyl-O-methoxyphenol, 2-METHOXY-4-PROPYLPHENOL, 5-Propyl-O-hydroxyanisole, (4-Hydroxy-3-methoxyphenyl)propane, 4-Hydroxy-3-methoxypropylbenzene, FEMA No. 3598, WLN: QR D3 BO1, W359807_ALDRICH, 1-(4-Hydroxy-3-methoxyphenyl)propane, EINECS 220-499-0
Molecular Formula: | C10H14O2 | Molecular Weight: | 166.216960 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: PXIKRTCSSLJURC-UHFFFAOYSA-N
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(7 suppliers)
IUPAC Name: 1-methyl-2-tridecylquinolin-4-one | CAS Registry Number: 15266-35-0
Synonyms: 1-methyl-2-tridecylquinolin-4-one, AC1NT13U, CHEMBL1643843, 1-methyl-2-tridecyl-quinolin-4-one, ZINC66102692, MCULE-2579736532, 3.2.8.1.1-Methyl-2-tridecyl-4(1H)-quinolone
Molecular Formula: | C23H35NO | Molecular Weight: | 341.530100 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 2 |
InChIKey: DWHCRAGHDDLXEM-UHFFFAOYSA-N
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(3 suppliers)
IUPAC Name: (2E)-3,7,11-trimethyldodeca-2,10-dien-1-ol | CAS Registry Number: 1335-48-4
Synonyms: CID5365908, 2,10-Dodecadien-1-ol, 3,7,11-trimethyl-, (E)-, 2,10-Dodecadien-1-ol, 3,7,11-trimethyl-, (E)-(.+/-.)-
Molecular Formula: | C15H28O | Molecular Weight: | 224.382220 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 1 |
InChIKey: XOTVPLZGIIGSKR-RVDMUPIBSA-N
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(5 suppliers)
IUPAC Name: 3-ethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium;chloride | CAS Registry Number: 98890-48-3
Synonyms: 3-ethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-5-ium chloride, 3-Ethyl-7,12-dihydro-6H-indolo(2,3-a)quinolizin-5-ium chloride, AC1L42D9
Molecular Formula: | C17H17ClN2 | Molecular Weight: | 284.783280 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 1 |
InChIKey: IYKGVISQUYYIKI-UHFFFAOYSA-N
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(12 suppliers)
IUPAC Name: 2-(3,6-diacetyloxy-9H-xanthen-9-yl)benzoic acid | CAS Registry Number: 35340-49-9
Synonyms: Dihydrofluorescein diacetate, Diacetyldihydrofluorescein, 292648_ALDRICH, 37288_FLUKA, CID629056, 2-[3,6-Diacetoxy-9H-xanth-9-yl]benzoic acid, 2-[3,6-Bis(acetyloxy)-9H-xanthen-9-yl]benzoic acid
Molecular Formula: | C24H18O7 | Molecular Weight: | 418.395520 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 7 |
InChIKey: YKSJJXGQHSESKB-UHFFFAOYSA-N
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(4 suppliers) | |
(1 supplier)
IUPAC Name: [5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (E)-8-hydroxy-2,6-dimethyloct-6-enoate | CAS Registry Number: 22314-48-3
Molecular Formula: | C26H38O12 | Molecular Weight: | 542.578 [g/mol] | H-Bond Donor: | 5 | H-Bond Acceptor: | 12 |
InChIKey: MLZWMRAJMJNMHR-IRRADOKUSA-N
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(8 suppliers)
IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid | CAS Registry Number: 4033-27-6
Synonyms: dihydrofolate, Dihydrofolic acid, 7,8-dihydrofolate, H2PteGlu, H2PteGlu1, 7,8-Dihydrofolic acid, nchembio.108-comp11, 7,8-Dihydropteroylglutamate, CHEBI:15633, CHEBI:175155, AIDS123129, AIDS-123129, CID98792, NSC 165989, SMP1_000099, N-(7,8-dihydropteroyl)-L-glutamic acid, C00415, DHF, (S)-2-{4-[(2-Amino-4-hydroxy-7,8-dihydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid, 2-{4-[(2-Amino-4-oxo-1,4,7,8-tetrahydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid
Molecular Formula: | C19H21N7O6 | Molecular Weight: | 443.413340 [g/mol] | H-Bond Donor: | 7 | H-Bond Acceptor: | 11 |
InChIKey: OZRNSSUDZOLUSN-LBPRGKRZSA-N
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(4 suppliers)
IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid;dihydrate | CAS Registry Number: 207226-40-2
Synonyms: Dihydrofolic acid dihydrate
Molecular Formula: | C19H25N7O8 | Molecular Weight: | 479.443900 [g/mol] | H-Bond Donor: | 9 | H-Bond Acceptor: | 11 |
InChIKey: UOHHAQNWTOGSOL-LTCKWSDVSA-N
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(5 suppliers) | |
(2 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] (2S)-2-methylbutanoate | CAS Registry Number: 41059-95-4
Molecular Formula: | C22H32O6 | Molecular Weight: | 392.492 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 6 |
InChIKey: RLFYIIYBXGSPOM-OATMBDEBSA-N
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(4 suppliers)
IUPAC Name: (3E)-3-[(2-hydroxyphenyl)hydrazinylidene]oxolan-2-one | CAS Registry Number: 93803-50-0
Synonyms: EINECS 298-321-6, Dihydrofuran-2,3-dione 3-((2-hydroxyphenyl)hydrazone)
Molecular Formula: | C10H10N2O3 | Molecular Weight: | 206.198000 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: WPYRSYNJUGENCZ-XYOKQWHBSA-N
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(5 suppliers)
IUPAC Name: (3E)-3-[(4-hydroxyphenyl)hydrazinylidene]oxolan-2-one | CAS Registry Number: 93803-49-7
Synonyms: EINECS 298-320-0, Dihydrofuran-2,3-dione 3-((4-hydroxyphenyl)hydrazone)
Molecular Formula: | C10H10N2O3 | Molecular Weight: | 206.198000 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: JJBRPKOCBITOQD-FMIVXFBMSA-N
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(2 suppliers)
IUPAC Name: oxolane-2,5-dione | CAS Registry Number: 68412-02-2
Synonyms: SUCCINIC ANHYDRIDE, 108-30-5, Dihydro-2,5-furandione, Succinyl oxide, 2,5-Diketotetrahydrofuran, Succinic acid anhydride, 2,5-Furandione, dihydro-, dihydrofuran-2,5-dione, Succinyl anhydride, Butanedioic anhydride, oxolane-2,5-dione, Tetrahydro-2,5-dioxofuran, 2,5-Dioxotetrahydrofuran, Rikacid SA, Tetrahydro-2,5-furandione, Bernsteinsaure-anhydrid, NCI-C55696, UNII-6RF4O17Z8J, CCRIS 2386, HSDB 792
Molecular Formula: | C4H4O3 | Molecular Weight: | 100.072760 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 3 |
InChIKey: RINCXYDBBGOEEQ-UHFFFAOYSA-N
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(8 suppliers) | |