PRODUCT NAME | CAS Registry Number |
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IUPAC Name: [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl] (3S,4aR,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3-[(2E,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | CAS Registry Number: 136958-78-6
Synonyms: Acaciaside B
Molecular Formula: | C85H136O43 | Molecular Weight: | 1845.980 [g/mol] | H-Bond Donor: | 24 | H-Bond Acceptor: | 43 |
InChIKey: JDBRROFHWPVSFD-OWMANMSFSA-N
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(3 suppliers)
IUPAC Name: (3S,4aR,5R,6aR,6aS,6bR,10S,12aR,14bS)-3,5,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | CAS Registry Number: 1962-14-7
Synonyms: AC1O536T, Olean-12-en-28-oic acid, 3,16,21-trihydroxy-, (3beta,16alpha,21beta)-, (3S,4aR,5R,6aR,6aS,6bR,10S,12aR,14bS)-3,5,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Formula: | C30H48O5 | Molecular Weight: | 488.699120 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 5 |
InChIKey: CFKXWTNHIJAFNL-CVYPFVTBSA-N
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(1 supplier)
IUPAC Name: (3S,4aR,6aS,6aR,6bR,10S,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-2,3,4a,5,6,6a,7,9,10,13,14,14a-dodecahydro-1H-picene-3,10-diol | CAS Registry Number: 72776-49-9
Molecular Formula: | C29H46O2 | Molecular Weight: | 426.685 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 2 |
InChIKey: DAOCUMZCHUMZMD-HCOKJODRSA-N
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(2 suppliers)
IUPAC Name: (3S,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3-[(E)-3-[(4Z)-4-ethylideneoxolan-2-yl]-2-methylprop-2-enoyl]oxy-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | CAS Registry Number: 71545-18-1
Synonyms: Acacigenin B
Molecular Formula: | C40H60O7 | Molecular Weight: | 652.913 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 7 |
InChIKey: IXVNNLCMQASQBL-ZNGROYSQSA-N
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(3 suppliers)
IUPAC Name: 3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile | CAS Registry Number: 644-68-8
Synonyms: Acacipetalin, CID3083642, Crotononitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, 56319-32-5
Molecular Formula: | C11H17NO6 | Molecular Weight: | 259.255780 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 7 |
InChIKey: MYXHDFJISNKPJY-KAMPLNKDSA-N
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(3 suppliers)
IUPAC Name: 4-[(5-amino-2-ethoxycarbonylphenyl)carbamoyl]benzoic acid | CAS Registry Number: 73626-07-0
Synonyms: Acaeba, CID189795, Ethyl 2-(4'-carboxybenzamido)-4-aminobenzoate
Molecular Formula: | C17H16N2O5 | Molecular Weight: | 328.319340 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 6 |
InChIKey: WFZMGMGJYJSKFW-UHFFFAOYSA-N
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IUPAC Name: 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide | CAS Registry Number: 1420477-60-6
Synonyms: UNII-I42748ELQW, I42748ELQW, Acalabrutinib, Acalabrutinib [INN], SCHEMBL14637368, WDENQIQQYWYTPO-IBGZPJMESA-N, (S)-4-(8-amino-3-(1-but-2-ynoylpyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide, Benzamide, 4-(8-amino-3-((2S)-1-(1-oxo-2-butyn-1-yl)-2-pyrrolidinyl)imidazo(1,5-a)pyrazin-1-yl)-N-2-pyridinyl-
Molecular Formula: | C26H23N7O2 | Molecular Weight: | 465.506520 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 6 |
InChIKey: WDENQIQQYWYTPO-IBGZPJMESA-N
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(7 suppliers)
IUPAC Name: 6-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)ethyl]quinazolin-4-one | CAS Registry Number: 870281-34-8
Synonyms: UNII-OVW60IDW1D, Acalisib [INN], OVW60IDW1D, SureCN356539, 6-Fluoro-3-phenyl-2-((1S)-1-(7H-purin-6-ylamino)ethyl)quinazolin-4(3H)-one
Molecular Formula: | C21H16FN7O | Molecular Weight: | 401.396443 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 7 |
InChIKey: DOCINCLJNAXZQF-LBPRGKRZSA-N
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IUPAC Name: N-[2-(4-hydroxyphenyl)ethyl]dotriacontanamide | CAS Registry Number: 81119-33-7
Synonyms: Acalyphamide
Molecular Formula: | C40H73NO2 | Molecular Weight: | 600.029 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 2 |
InChIKey: JXEPDSRWVYTNJT-UHFFFAOYSA-N
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IUPAC Name: 6-methoxy-2-methyl-1-benzofuran-4,7-dione | CAS Registry Number: 74161-27-6
Synonyms: Acamelin, CHEBI:2373, CID156280, 4,7-Benzofurandione, 6-methoxy-2-methyl-, 6-methoxy-2-methyl-1-benzofuran-4,7-dione, C10290, 6-Methoxy-2-methyl-3,5-dihydrobenzofuran-4,7-dione, 481-85-6
Molecular Formula: | C10H8O4 | Molecular Weight: | 192.168120 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 4 |
InChIKey: DNQLVCZXYPFUHF-UHFFFAOYSA-N
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(30 suppliers)
IUPAC Name: calcium 3-acetamidopropane-1-sulfonate | CAS Registry Number: 77337-73-6
Synonyms: Campral, Acamprosate calcium, Alcomed, Sobriol, Aotal, Acamprosate, Campral EC, Campral (TN), Acamprosate calcium [USAN], Acamprosate calcium (USAN), 2C5H10NO4S.Ca, CHEBI:51042, EINECS 278-665-3, calcium acetylaminopropane sulfonate, CID155434, Calcium 3-(acetylamino)propane-1-sulfonate, Calcium(2+) 3-(acetylamino)propanesulphonate, N-acetylhomotaurine, calcium (2:1) salt, calcium bis(3-acetamidopropane-1-sulfonate), LS-120941
Molecular Formula: | C10H20CaN2O8S2 | Molecular Weight: | 400.482400 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 8 |
InChIKey: BUVGWDNTAWHSKI-UHFFFAOYSA-L
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IUPAC Name: calcium;3-acetamido-1,1,2,2,3,3-hexadeuteriopropane-1-sulfonate | CAS Registry Number: 1225580-91-5
Synonyms: Acamprosate - d6 calcium, MolPort-039-052-237, AKOS025147393, 3-(Acetylamino)-1-propane-1,1,2,2,3,3-d6-sulfonic acid hemicalcium salt
Molecular Formula: | C5H10CaNO4S+ | Molecular Weight: | 226.313 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: WPEXQWVYZZXPJW-RYKMJATISA-M
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IUPAC Name: (2S,4S,5R,6R)-5-acetamido-4-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2S,3S,4R)-3,4-dihydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]hexadecoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | CAS Registry Number: 121038-31-1
Synonyms: Acanthaganglioside C
Molecular Formula: | C75H138N2O33 | Molecular Weight: | 1595.910 [g/mol] | H-Bond Donor: | 22 | H-Bond Acceptor: | 33 |
InChIKey: PNGHPYJCTHEMKN-BQQBYGLFSA-N
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IUPAC Name: sodium [6-[4-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-(2-hydroxy-6-methyl-4-oxohept-5-en-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] sulfate | CAS Registry Number: 95481-79-1
Synonyms: CID180634, CID 180634, 102679-93-6
Molecular Formula: | C56H89NaO28S | Molecular Weight: | 1265.343830 [g/mol] | H-Bond Donor: | 13 | H-Bond Acceptor: | 28 |
InChIKey: IDHWYHPBUUZSLR-UHFFFAOYSA-M
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(3 suppliers)
IUPAC Name: N-[(3aR,4S,5S,6E,10Z,11aR)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl]-2-methylpropanamide | CAS Registry Number: 64852-96-6
Synonyms: ACANTHAMOLIDE
Molecular Formula: | C19H25NO5 | Molecular Weight: | 347.411 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 5 |
InChIKey: WBVFVTLURIXLLJ-VRPNJRMNSA-N
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IUPAC Name: (2R)-3-[(1S,2S,2'S,4S,5'R,6R)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-5'-hydroxy-6-methylspiro[3-oxa-7-thiabicyclo[4.1.0]heptane-2,6'-oxane]-2'-yl]-2-hydroxy-2-methylpropanoic acid | CAS Registry Number: 77739-71-0
Synonyms: Acanthifolicin, Acanthifolic acid, CID6440578
Molecular Formula: | C44H68O13S | Molecular Weight: | 837.067920 [g/mol] | H-Bond Donor: | 5 | H-Bond Acceptor: | 13 |
InChIKey: PBZVIYIWLYRXNM-ZGRMKTROSA-N
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IUPAC Name: methyl 2-hydroxy-3-[5'-hydroxy-4-[(E)-4-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-6-methylspiro[3-oxa-7-thiabicyclo[4.1.0]heptane-2,6'-oxane]-2'-yl]-2-methylpropanoate | CAS Registry Number: 78111-16-7
Synonyms: Acanthifolicin methyl ester, Acanthifolicin, methyl ester, CID6443212
Molecular Formula: | C45H70O13S | Molecular Weight: | 851.094500 [g/mol] | H-Bond Donor: | 4 | H-Bond Acceptor: | 13 |
InChIKey: RGDJFRFEGQREJC-ZHACJKMWSA-N
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IUPAC Name: silver;silver;sulfanide | CAS Registry Number: 12068-32-5
Synonyms: Disilver sulphide, 21548-73-2, Acanthite, Silver sulfide (Ag2S), 10230_RIEDEL, 241474_ALDRICH, EINECS 244-438-2, 12249-63-7 (silver sulfide [1:1]), 1302-08-5
Molecular Formula: | Ag2HS | Molecular Weight: | 248.809340 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 1 |
InChIKey: FSJWWSXPIWGYKC-UHFFFAOYSA-M
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(2 suppliers)
IUPAC Name: [(3aR,4S,5S,6E,10E,11aR)-6-formyl-4-hydroxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate | CAS Registry Number: 72548-16-4
Synonyms: Acantholide
Molecular Formula: | C19H24O6 | Molecular Weight: | 348.390260 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 6 |
InChIKey: MWYCMNPDBWRCKB-XJZCXBHUSA-N
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(1 supplier)
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxycarbonyl-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid | CAS Registry Number: 57606-20-9
Synonyms: Acanthophylloside B
Molecular Formula: | C86H136O48 | Molecular Weight: | 1937.986 [g/mol] | H-Bond Donor: | 25 | H-Bond Acceptor: | 48 |
InChIKey: RVIIIENFJAWAFW-MOGHNWINSA-N
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(3 suppliers)
IUPAC Name: [6-[[6-(acetyloxymethyl)-3,4-dihydroxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate | CAS Registry Number: 915792-03-9
Molecular Formula: | C61H98O27 | Molecular Weight: | 1263.428 [g/mol] | H-Bond Donor: | 14 | H-Bond Acceptor: | 27 |
InChIKey: NYFPVHPLEGGWHZ-UHFFFAOYSA-N
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Synonyms: Neurotoxin c, Toxin Aa c, Acanthophis antarcticus toxin Aa c
Molecular Formula: | C280H464N92O90S10 | Molecular Weight: | 6879.946 [g/mol] | H-Bond Donor: | 113 | H-Bond Acceptor: | 112 |
InChIKey: ASOGUCJERQRWOV-HFHGNOMRSA-N
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