Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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2,386 – 2,400 of 207,757 results

2,386

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2-Methyl-2-cyclopenten-1-one, 97%

CAS: 1120-73-6 Molecular Formula: C6H8O Molecular Weight (g/mol): 96.13 MDL Number: MFCD00012275 InChI Key: ZSBWUNDRDHVNJL-UHFFFAOYSA-N Synonym: 2-methylcyclopent-2-enone,2-methyl-2-cyclopenten-1-one,2-cyclopenten-1-one, 2-methyl,2-methyl-2-cyclopentenone,cyclopentenone, 2-methyl,cyclopentenone, methyl,methyl-cyclopentenone,acmc-20af73,2-cyclopenten-1-one, methyl,2-cyclopenten-1-one,2-methyl PubChem CID: 14266 IUPAC Name: 2-methylcyclopent-2-en-1-one SMILES: CC1=CCCC1=O

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PubChem CID	14266
CAS	1120-73-6
Molecular Weight (g/mol)	96.13
MDL Number	MFCD00012275
SMILES	CC1=CCCC1=O
Synonym	2-methylcyclopent-2-enone,2-methyl-2-cyclopenten-1-one,2-cyclopenten-1-one, 2-methyl,2-methyl-2-cyclopentenone,cyclopentenone, 2-methyl,cyclopentenone, methyl,methyl-cyclopentenone,acmc-20af73,2-cyclopenten-1-one, methyl,2-cyclopenten-1-one,2-methyl
IUPAC Name	2-methylcyclopent-2-en-1-one
InChI Key	ZSBWUNDRDHVNJL-UHFFFAOYSA-N
Molecular Formula	C6H8O

2,387

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(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II), 98%

CAS: 176763-62-5 Molecular Formula: C₃₆H₅₂CoN₂O₂ Molecular Weight (g/mol): 603.76 MDL Number: MFCD01631277 InChI Key: XJWCTQVLJVAWMC-FAZMKCLSSA-N Synonym: r,r-n,n'-bis 3,5-di-tert-butylsalicylidene-1,2-cyclohexanediaminocobalt ii PubChem CID: 126963446 IUPAC Name: cobalt;2,4-ditert-butyl-6-[[[(1R,2S)-2-[(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one SMILES: CC(C)(C)C1=CC(=CNC2CCCCC2NC=C3C=C(C=C(C3=O)C(C)(C)C)C(C)(C)C)C(=O)C(=C1)C(C)(C)C.[Co]

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Specifications

PubChem CID	126963446
CAS	176763-62-5
Molecular Weight (g/mol)	603.76
MDL Number	MFCD01631277
SMILES	CC(C)(C)C1=CC(=CNC2CCCCC2NC=C3C=C(C=C(C3=O)C(C)(C)C)C(C)(C)C)C(=O)C(=C1)C(C)(C)C.[Co]
Synonym	r,r-n,n'-bis 3,5-di-tert-butylsalicylidene-1,2-cyclohexanediaminocobalt ii
IUPAC Name	cobalt;2,4-ditert-butyl-6-[[[(1R,2S)-2-[(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
InChI Key	XJWCTQVLJVAWMC-FAZMKCLSSA-N
Molecular Formula	C₃₆H₅₂CoN₂O₂

2,388

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gamma-Benzyl L-glutamate, 99%

CAS: 1676-73-9 Molecular Formula: C₁₂H₁₅NO₄ Molecular Weight (g/mol): 237.25 MDL Number: MFCD00002633 InChI Key: BGGHCRNCRWQABU-JTQLQIEISA-N Synonym: h-glu obzl-oh,gamma-benzyl l-glutamate,l-glutamic acid 5-benzyl ester,5-benzyl l-glutamate,l-glutamic acid gamma-benzyl ester,s-2-amino-5-benzyloxy-5-oxopentanoic acid,2s-2-amino-5-benzyloxy-5-oxopentanoic acid,glutamic acid, 5-benzyl ester, l,gama-benzyl l-glutamate,h-glu obzl-oh.hcl PubChem CID: 122337 IUPAC Name: (2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid SMILES: C1=CC=C(C=C1)COC(=O)CCC(C(=O)O)N

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Specifications

PubChem CID	122337
CAS	1676-73-9
Molecular Weight (g/mol)	237.25
MDL Number	MFCD00002633
SMILES	C1=CC=C(C=C1)COC(=O)CCC(C(=O)O)N
Synonym	h-glu obzl-oh,gamma-benzyl l-glutamate,l-glutamic acid 5-benzyl ester,5-benzyl l-glutamate,l-glutamic acid gamma-benzyl ester,s-2-amino-5-benzyloxy-5-oxopentanoic acid,2s-2-amino-5-benzyloxy-5-oxopentanoic acid,glutamic acid, 5-benzyl ester, l,gama-benzyl l-glutamate,h-glu obzl-oh.hcl
IUPAC Name	(2S)-2-amino-5-oxo-5-phenylmethoxypentanoic acid
InChI Key	BGGHCRNCRWQABU-JTQLQIEISA-N
Molecular Formula	C₁₂H₁₅NO₄

2,389

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2,6-Dimethoxy-1,4-benzoquinone, 97%

CAS: 530-55-2 Molecular Formula: C₈H₈O₄ Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016368 InChI Key: OLBNOBQOQZRLMP-UHFFFAOYSA-N Synonym: 2,6-dimethoxy-1,4-benzoquinone,2,6-dimethoxy-p-benzoquinone,2,6-dimethoxyquinone,2,6-dimethoxybenzoquinone,2,6-dimethoxy-p-quinone,2,6-dimethoxysemiquinone anions,2,5-cyclohexadiene-1,4-dione, 2,6-dimethoxy,dmbq,p-benzoquinone, 2,6-dimethoxy,2,6-dimethoxybenzo-1,4-quinone PubChem CID: 68262 ChEBI: CHEBI:27651 IUPAC Name: 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione SMILES: COC1=CC(=O)C=C(C1=O)OC

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Specifications

PubChem CID	68262
CAS	530-55-2
Molecular Weight (g/mol)	168.15
ChEBI	CHEBI:27651
MDL Number	MFCD00016368
SMILES	COC1=CC(=O)C=C(C1=O)OC
Synonym	2,6-dimethoxy-1,4-benzoquinone,2,6-dimethoxy-p-benzoquinone,2,6-dimethoxyquinone,2,6-dimethoxybenzoquinone,2,6-dimethoxy-p-quinone,2,6-dimethoxysemiquinone anions,2,5-cyclohexadiene-1,4-dione, 2,6-dimethoxy,dmbq,p-benzoquinone, 2,6-dimethoxy,2,6-dimethoxybenzo-1,4-quinone
IUPAC Name	2,6-dimethoxycyclohexa-2,5-diene-1,4-dione
InChI Key	OLBNOBQOQZRLMP-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₄

2,390

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Pimobendan, EP, 98-101%, Spectrum™ Chemical

CAS: 74150-27-9 Molecular Formula: C19H18N4O2 Molecular Weight (g/mol): 334.38 InChI Key: GLBJJMFZWDBELO-UHFFFAOYNA-N IUPAC Name: 6-[2-(4-methoxyphenyl)-1H-1,3-benzodiazol-6-yl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one SMILES: COC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N1)C1=NNC(=O)CC1C

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Specifications

CAS	74150-27-9
Molecular Weight (g/mol)	334.38
SMILES	COC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N1)C1=NNC(=O)CC1C
IUPAC Name	6-[2-(4-methoxyphenyl)-1H-1,3-benzodiazol-6-yl]-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
InChI Key	GLBJJMFZWDBELO-UHFFFAOYNA-N
Molecular Formula	C19H18N4O2

2,391

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Thermo Scientific Chemicals Vincristine sulfate, 95%

CAS: 2068-78-2 Molecular Formula: C₄₆H₅₆N₄O₁₀·H₂SO₄ Molecular Weight (g/mol): 923.03 MDL Number: MFCD08706469 InChI Key: AQTQHPDCURKLKT-DJOZZVTQSA-N Synonym: vincristine sulfate,methyl 9r,10s,11r,12r,19r-11-acetyloxy-12-ethyl-4-13s,15r,17s-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo 13.3.1.0?, 1 2 .0?, 1 ? nonadeca-4 12 ,5,7,9-tetraen-13-yl-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo 10.6.1.0 1 ,?.0 2 ,?.0 PubChem CID: 126963557 SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O

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Specifications

PubChem CID	126963557
CAS	2068-78-2
Molecular Weight (g/mol)	923.03
MDL Number	MFCD08706469
SMILES	CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
Synonym	vincristine sulfate,methyl 9r,10s,11r,12r,19r-11-acetyloxy-12-ethyl-4-13s,15r,17s-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo 13.3.1.0?, 1 2 .0?, 1 ? nonadeca-4 12 ,5,7,9-tetraen-13-yl-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo 10.6.1.0 1 ,?.0 2 ,?.0
InChI Key	AQTQHPDCURKLKT-DJOZZVTQSA-N
Molecular Formula	C₄₆H₅₆N₄O₁₀·H₂SO₄

2,392

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Thermo Scientific Chemicals Vinblastine sulfate, 96.0-102.0%

CAS: 143-67-9 Molecular Formula: C46H60N4O13S Molecular Weight (g/mol): 909.06 MDL Number: MFCD08706468,MFCD00082457,MFCD08706468 InChI Key: KDQAABAKXDWYSZ-JKDPCDLQSA-N Synonym: vinblastine sulfate PubChem CID: 131709225 IUPAC Name: methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,13-tetraene-10-carboxylate; sulfuric acid SMILES: OS(O)(=O)=O.CC[C@]1(O)C[C@H]2CN(C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=CC2=C(C=C1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC

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Specifications

PubChem CID	131709225
CAS	143-67-9
Molecular Weight (g/mol)	909.06
MDL Number	MFCD08706468,MFCD00082457,MFCD08706468
SMILES	OS(O)(=O)=O.CC[C@]1(O)C[C@H]2CN(C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=CC2=C(C=C1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Synonym	vinblastine sulfate
IUPAC Name	methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,13-tetraene-10-carboxylate; sulfuric acid
InChI Key	KDQAABAKXDWYSZ-JKDPCDLQSA-N
Molecular Formula	C46H60N4O13S

2,393

D-(+)-Lactose, Monohydrate, Powder, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™

CAS: 64044-51-5 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.312 InChI Key: WSVLPVUVIUVCRA-ZEAJSSQNSA-N Synonym: d-lactose monohydrate,d-+-lactosemonohydrate PubChem CID: 133126686 IUPAC Name: (3S,6R)-2-(hydroxymethyl)-6-[(3R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;hydrate SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O.O

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Specifications

PubChem CID	133126686
CAS	64044-51-5
Molecular Weight (g/mol)	360.312
SMILES	C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O.O
Synonym	d-lactose monohydrate,d-+-lactosemonohydrate
IUPAC Name	(3S,6R)-2-(hydroxymethyl)-6-[(3R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;hydrate
InChI Key	WSVLPVUVIUVCRA-ZEAJSSQNSA-N
Molecular Formula	C12H24O12

2,394

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Sesame Oil, NF, Spectrum™ Chemical

CAS: 8008-74-0

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Specifications

CAS	8008-74-0

2,395

Fluvastatin sodium salt

CAS: 93957-55-2 Molecular Formula: C24H25FNNaO4 Molecular Weight (g/mol): 433.46 MDL Number: MFCD00929076 InChI Key: ZGGHKIMDNBDHJB-RPQBTBOMSA-M Synonym: fluvastatin sodium,sodium 3s,5r-7-3-4-fluorophenyl-1-propan-2-yl-1h-indol-2-yl-3,5-dihydroxyhept-6-enoate PubChem CID: 66587062 SMILES: [Na+].CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC([O-])=O)=C(C2=CC=CC=C12)C1=CC=C(F)C=C1

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Specifications

PubChem CID	66587062
CAS	93957-55-2
Molecular Weight (g/mol)	433.46
MDL Number	MFCD00929076
SMILES	[Na+].CC(C)N1C(\C=C\[C@H](O)C[C@H](O)CC([O-])=O)=C(C2=CC=CC=C12)C1=CC=C(F)C=C1
Synonym	fluvastatin sodium,sodium 3s,5r-7-3-4-fluorophenyl-1-propan-2-yl-1h-indol-2-yl-3,5-dihydroxyhept-6-enoate
InChI Key	ZGGHKIMDNBDHJB-RPQBTBOMSA-M
Molecular Formula	C24H25FNNaO4

2,396

Thermo Scientific Chemicals Meglumine antimoniate

CAS: 133-51-7 Molecular Formula: C₇H₁₇NO₅·HO₃Sb Molecular Weight (g/mol): 365.97 InChI Key: YPAUTKZODZLFQM-OVHUINQISA-K PubChem CID: 131664208 IUPAC Name: antimony(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;trihydroxide;hydrate SMILES: CNCC(C(C(C(CO)O)O)O)O.O.[OH-].[OH-].[OH-].[Sb+3]

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Specifications

PubChem CID	131664208
CAS	133-51-7
Molecular Weight (g/mol)	365.97
SMILES	CNCC(C(C(C(CO)O)O)O)O.O.[OH-].[OH-].[OH-].[Sb+3]
IUPAC Name	antimony(3+);(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;trihydroxide;hydrate
InChI Key	YPAUTKZODZLFQM-OVHUINQISA-K
Molecular Formula	C₇H₁₇NO₅·HO₃Sb

2,397

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Abacavir sulfate, 99 %

CAS: 188062-50-2 Molecular Formula: C₁₄H₁₈N₆O·₁/₂H₂SO₄ Molecular Weight (g/mol): 335.37 InChI Key: WMHSRBZIJNQHKT-NHMRBCHTSA-N Synonym: abacavir hemisulfate,1s,4r-4-2-amino-6-cyclopropylamino-9h-purin-9-yl-2-cyclopentene-1-methanol hemisulfate PubChem CID: 75539558 IUPAC Name: [(1S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;sulfuric acid SMILES: C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.OS(=O)(=O)O

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Specifications

PubChem CID	75539558
CAS	188062-50-2
Molecular Weight (g/mol)	335.37
SMILES	C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.OS(=O)(=O)O
Synonym	abacavir hemisulfate,1s,4r-4-2-amino-6-cyclopropylamino-9h-purin-9-yl-2-cyclopentene-1-methanol hemisulfate
IUPAC Name	[(1S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;sulfuric acid
InChI Key	WMHSRBZIJNQHKT-NHMRBCHTSA-N
Molecular Formula	C₁₄H₁₈N₆O·₁/₂H₂SO₄

2,398

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Ritonavir, 98%, Thermo Scientific Chemicals

CAS: 155213-67-5 Molecular Formula: C₃₇H₄₈N₆O₅S₂ Molecular Weight (g/mol): 720.94 InChI Key: NCDNCNXCDXHOMX-XGKFQTDJSA-N Synonym: ritonavir,norvir,abbott 84538,abbott-84538,ritonavir usan,norvir softgel,norvir sec,unii-o3j8g9o825,norvir tm,norvir tn PubChem CID: 392622 ChEBI: CHEBI:45409 IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate SMILES: CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

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Specifications

PubChem CID	392622
CAS	155213-67-5
Molecular Weight (g/mol)	720.94
ChEBI	CHEBI:45409
SMILES	CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
Synonym	ritonavir,norvir,abbott 84538,abbott-84538,ritonavir usan,norvir softgel,norvir sec,unii-o3j8g9o825,norvir tm,norvir tn
IUPAC Name	1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
InChI Key	NCDNCNXCDXHOMX-XGKFQTDJSA-N
Molecular Formula	C₃₇H₄₈N₆O₅S₂

2,399

Tetramethylammonium triacetoxyborohydride, 90+%

CAS: 109704-53-2 Molecular Formula: C10H22BNO6 Molecular Weight (g/mol): 263.10 MDL Number: MFCD00012196 InChI Key: LCFZZOGKVOTFPU-UHFFFAOYSA-N Synonym: tetramethylammonium triacetoxyborohydride,me4nhb oac 3,me4n aco 3bh;,me4nb oac 3h;,me4n bh oac 3;,ch3 4nhb oac ;,me4n ch3co2 3bh;,tetramethylammonium triacetoxyhydroborate,tetramethylammonium triacetoxyborohydride;,bis acetyloxy boranuidyl acetate; tetramethylazanium PubChem CID: 10858300 IUPAC Name: tetramethylazanium;triacetyloxyboron(1-) SMILES: C[N+](C)(C)C.CC(=O)O[BH-](OC(C)=O)OC(C)=O

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Specifications

PubChem CID	10858300
CAS	109704-53-2
Molecular Weight (g/mol)	263.10
MDL Number	MFCD00012196
SMILES	C[N+](C)(C)C.CC(=O)O[BH-](OC(C)=O)OC(C)=O
Synonym	tetramethylammonium triacetoxyborohydride,me4nhb oac 3,me4n aco 3bh;,me4nb oac 3h;,me4n bh oac 3;,ch3 4nhb oac ;,me4n ch3co2 3bh;,tetramethylammonium triacetoxyhydroborate,tetramethylammonium triacetoxyborohydride;,bis acetyloxy boranuidyl acetate; tetramethylazanium
IUPAC Name	tetramethylazanium;triacetyloxyboron(1-)
InChI Key	LCFZZOGKVOTFPU-UHFFFAOYSA-N
Molecular Formula	C10H22BNO6

2,400

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Schisandrin B, 96%, Thermo Scientific Chemicals

CAS: 61281-37-6 Molecular Formula: C23H28O6 Molecular Weight (g/mol): 400.47 InChI Key: RTZKSTLPRTWFEV-UHFFFAOYNA-N IUPAC Name: 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaene SMILES: COC1=CC2=C(C(OC)=C1OC)C1=C(OC)C3=C(OCO3)C=C1CC(C)C(C)C2

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Specifications

CAS	61281-37-6
Molecular Weight (g/mol)	400.47
SMILES	COC1=CC2=C(C(OC)=C1OC)C1=C(OC)C3=C(OCO3)C=C1CC(C)C(C)C2
IUPAC Name	3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(19),2(7),3,5,12,14(18)-hexaene
InChI Key	RTZKSTLPRTWFEV-UHFFFAOYNA-N
Molecular Formula	C23H28O6

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