Unclassified Organic Compounds

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

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Sodium triacetoxyborohydride, 97%

CAS: 56553-60-7 Molecular Formula: C6H10BNaO6 Molecular Weight (g/mol): 211.94 MDL Number: MFCD00012211 InChI Key: HHYFEYBWNZJVFQ-UHFFFAOYSA-N Synonym: c6h10bnao6,sodium triacetoxyboron 1-,pubchem12871,sodium triacetoxy borohyride,sodium triacetyloxyboron 1-,tris acetoxy hydroborate sodium salt,sodium bis acetyloxy-$l^ 2-boranuidyl acetate IUPAC Name: sodium bis(acetyloxy)boranuidyl acetate SMILES: [Na+].CC(=O)O[BH-](OC(C)=O)OC(C)=O

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CAS	56553-60-7
Molecular Weight (g/mol)	211.94
MDL Number	MFCD00012211
SMILES	[Na+].CC(=O)O[BH-](OC(C)=O)OC(C)=O
Synonym	c6h10bnao6,sodium triacetoxyboron 1-,pubchem12871,sodium triacetoxy borohyride,sodium triacetyloxyboron 1-,tris acetoxy hydroborate sodium salt,sodium bis acetyloxy-$l^ 2-boranuidyl acetate
IUPAC Name	sodium bis(acetyloxy)boranuidyl acetate
InChI Key	HHYFEYBWNZJVFQ-UHFFFAOYSA-N
Molecular Formula	C6H10BNaO6

Thermo Scientific Chemicals Divalproex sodium

CAS: 76584-70-8 Molecular Formula: C16H31NaO4 Molecular Weight (g/mol): 310.41 InChI Key: MSRILKIQRXUYCT-UHFFFAOYSA-M IUPAC Name: sodium 2-propylpentanoic acid 2-propylpentanoate SMILES: [Na+].CCCC(CCC)C(O)=O.CCCC(CCC)C([O-])=O

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Specifications

CAS	76584-70-8
Molecular Weight (g/mol)	310.41
SMILES	[Na+].CCCC(CCC)C(O)=O.CCCC(CCC)C([O-])=O
IUPAC Name	sodium 2-propylpentanoic acid 2-propylpentanoate
InChI Key	MSRILKIQRXUYCT-UHFFFAOYSA-M
Molecular Formula	C16H31NaO4

N-Lauroylsarcosine sodium salt, 95%

CAS: 137-16-6 Molecular Formula: C15H28NNaO3 Molecular Weight (g/mol): 293.38 MDL Number: MFCD00042728 InChI Key: KSAVQLQVUXSOCR-UHFFFAOYSA-M Synonym: sarkosyl nl,sodium lauroyl sarcosinate,n-lauroylsarcosine sodium salt,sodium n-lauroylsarcosinate,sodium lauroylsarcosinate,sarcosyl nl,maprosyl 30,compound 105,gardol,hamposyl l-30 PubChem CID: 23668817 IUPAC Name: sodium;2-[dodecanoyl(methyl)amino]acetate SMILES: [Na+].CCCCCCCCCCCC(=O)N(C)CC([O-])=O

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PubChem CID	23668817
CAS	137-16-6
Molecular Weight (g/mol)	293.38
MDL Number	MFCD00042728
SMILES	[Na+].CCCCCCCCCCCC(=O)N(C)CC([O-])=O
Synonym	sarkosyl nl,sodium lauroyl sarcosinate,n-lauroylsarcosine sodium salt,sodium n-lauroylsarcosinate,sodium lauroylsarcosinate,sarcosyl nl,maprosyl 30,compound 105,gardol,hamposyl l-30
IUPAC Name	sodium;2-[dodecanoyl(methyl)amino]acetate
InChI Key	KSAVQLQVUXSOCR-UHFFFAOYSA-M
Molecular Formula	C15H28NNaO3

Thermo Scientific Chemicals Nafcillin sodium salt

CAS: 985-16-0 Molecular Formula: C21H21N2NaO5S Molecular Weight (g/mol): 436.46 MDL Number: MFCD00056863 InChI Key: AYAPZOUDXCDGIF-FRFVDRIFSA-M Synonym: 4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylicacid, 6-2-ethoxy-1-naphthalenyl carbonyl amino-3,3-dimethyl-7-oxo-, sodiumsalt 1:1 , 2s,5r,6r PubChem CID: 131675018 IUPAC Name: (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;molecular hydrogen;sodium SMILES: [Na+].CCOC1=CC=C2C=CC=CC2=C1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O

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Specifications

PubChem CID	131675018
CAS	985-16-0
Molecular Weight (g/mol)	436.46
MDL Number	MFCD00056863
SMILES	[Na+].CCOC1=CC=C2C=CC=CC2=C1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O
Synonym	4-thia-1-azabicyclo 3.2.0 heptane-2-carboxylicacid, 6-2-ethoxy-1-naphthalenyl carbonyl amino-3,3-dimethyl-7-oxo-, sodiumsalt 1:1 , 2s,5r,6r
IUPAC Name	(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;molecular hydrogen;sodium
InChI Key	AYAPZOUDXCDGIF-FRFVDRIFSA-M
Molecular Formula	C21H21N2NaO5S

Thermo Scientific Chemicals Betamethasone sodium phosphate

CAS: 151-73-5 Molecular Formula: C22H28FNa2O8P Molecular Weight (g/mol): 516.41 InChI Key: PLCQGRYPOISRTQ-LWCNAHDDSA-L IUPAC Name: disodium (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1-[2-(phosphonatooxy)acetyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one SMILES: [Na+].[Na+].C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP([O-])([O-])=O

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CAS	151-73-5
Molecular Weight (g/mol)	516.41
SMILES	[Na+].[Na+].C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP([O-])([O-])=O
IUPAC Name	disodium (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,10-dihydroxy-2,9a,11a-trimethyl-1-[2-(phosphonatooxy)acetyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
InChI Key	PLCQGRYPOISRTQ-LWCNAHDDSA-L
Molecular Formula	C22H28FNa2O8P

CAS	56553-60-7
Molecular Weight (g/mol)	211.94
MDL Number	MFCD00012211
SMILES	[Na+].CC(=O)O[BH-](OC(C)=O)OC(C)=O
Synonym	c6h10bnao6,sodium triacetoxyboron 1-,pubchem12871,sodium triacetoxy borohyride,sodium triacetyloxyboron 1-,tris acetoxy hydroborate sodium salt,sodium bis acetyloxy-$l^ 2-boranuidyl acetate
IUPAC Name	sodium bis(acetyloxy)boranuidyl acetate
InChI Key	HHYFEYBWNZJVFQ-UHFFFAOYSA-N
Molecular Formula	C6H10BNaO6

Sulfobromophthalein sodium hydrate

CAS: 123359-42-2 Molecular Formula: C20H8Br4Na2O10S2 Molecular Weight (g/mol): 837.99 MDL Number: MFCD16556312 InChI Key: GHAFORRTMVIXHS-UHFFFAOYSA-L Synonym: disodium 2-hydroxy-5-1z-4-oxo-3-sulfonatocyclohexa-2,5-dien-1-ylidene 2,3,4,5-tetrabromo-6-carboxyphenyl methyl benzenesulfonate tetrahydrate PubChem CID: 16211419 IUPAC Name: disodium;2-hydroxy-5-[(E)-(4-oxo-3-sulfonatocyclohexa-2,5-dien-1-ylidene)-(2,3,4,5-tetrabromo-6-carboxyphenyl)methyl]benzenesulfonate SMILES: [Na+].[Na+].OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=C1C(Br)=C(Br)C(Br)=C2Br)C1=CC=C(O)C(=C1)S([O-])(=O)=O

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Specifications

PubChem CID	16211419
CAS	123359-42-2
Molecular Weight (g/mol)	837.99
MDL Number	MFCD16556312
SMILES	[Na+].[Na+].OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=C1C(Br)=C(Br)C(Br)=C2Br)C1=CC=C(O)C(=C1)S([O-])(=O)=O
Synonym	disodium 2-hydroxy-5-1z-4-oxo-3-sulfonatocyclohexa-2,5-dien-1-ylidene 2,3,4,5-tetrabromo-6-carboxyphenyl methyl benzenesulfonate tetrahydrate
IUPAC Name	disodium;2-hydroxy-5-[(E)-(4-oxo-3-sulfonatocyclohexa-2,5-dien-1-ylidene)-(2,3,4,5-tetrabromo-6-carboxyphenyl)methyl]benzenesulfonate
InChI Key	GHAFORRTMVIXHS-UHFFFAOYSA-L
Molecular Formula	C20H8Br4Na2O10S2

Sulforhodamine B sodium salt

CAS: 3520-42-1 Molecular Formula: C29H33N2NaO7S2 Molecular Weight (g/mol): 608.70 MDL Number: MFCD00010180 InChI Key: XJENLUNLXRJLEZ-UHFFFAOYSA-M Synonym: C.I. 45100; Kiton Red S PubChem CID: 131852807 IUPAC Name: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-sulfobenzenesulfonate;sodium SMILES: [Na+].CCN(CC)C1=CC2=[O+]C3=CC(N(CC)CC)=C(C)C=C3C(C3=CC=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O)=C2C=C1C

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Specifications

PubChem CID	131852807
CAS	3520-42-1
Molecular Weight (g/mol)	608.70
MDL Number	MFCD00010180
SMILES	[Na+].CCN(CC)C1=CC2=[O+]C3=CC(N(CC)CC)=C(C)C=C3C(C3=CC=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O)=C2C=C1C
Synonym	C.I. 45100; Kiton Red S
IUPAC Name	2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-sulfobenzenesulfonate;sodium
InChI Key	XJENLUNLXRJLEZ-UHFFFAOYSA-M
Molecular Formula	C29H33N2NaO7S2

Sodium dehydroacetate, 97%

CAS: 4418-26-2 Molecular Formula: C₈H₇NaO₄ MDL Number: MFCD00040583

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Specifications

CAS	4418-26-2
MDL Number	MFCD00040583
Molecular Formula	C₈H₇NaO₄

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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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

Thermo Scientific Chemicals Parecoxib sodium salt

CAS: 198470-85-8

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CAS	198470-85-8

Dantrolene sodium salt

CAS: 14663-23-1 Molecular Formula: C14H12N4NaO5 Molecular Weight (g/mol): 339.263 MDL Number: MFCD00079130 InChI Key: XHONPQLVCHTEDY-YVCISUPJSA-N PubChem CID: 131674048 IUPAC Name: molecular hydrogen;1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;sodium SMILES: [HH].C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-].[Na]

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Specifications

PubChem CID	131674048
CAS	14663-23-1
Molecular Weight (g/mol)	339.263
MDL Number	MFCD00079130
SMILES	[HH].C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-].[Na]
IUPAC Name	molecular hydrogen;1-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione;sodium
InChI Key	XHONPQLVCHTEDY-YVCISUPJSA-N
Molecular Formula	C14H12N4NaO5

Bentonite, sodium form

CAS: 1302-78-9 MDL Number: MFCD00130611

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CAS	1302-78-9
MDL Number	MFCD00130611

Sodium sulfobutyl ether beta-cyclodextrin

CAS: 182410-00-0 Molecular Formula: xNa·x(C₄H₉O₃S) Molecular Weight (g/mol): 1277.13

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CAS	182410-00-0
Molecular Weight (g/mol)	1277.13
Molecular Formula	xNa·x(C₄H₉O₃S)

Meclofenamic acid sodium salt, 99+%

CAS: 6385-02-0 Molecular Formula: C14H13Cl2NNaO2 Molecular Weight (g/mol): 321.153 MDL Number: MFCD00077376 InChI Key: JKTYCTJLWZYQGM-UHFFFAOYSA-N Synonym: meclofenamate sodium PubChem CID: 131673979 IUPAC Name: 2-(2,6-dichloro-3-methylanilino)benzoic acid;molecular hydrogen;sodium SMILES: [HH].CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl.[Na]

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Specifications

PubChem CID	131673979
CAS	6385-02-0
Molecular Weight (g/mol)	321.153
MDL Number	MFCD00077376
SMILES	[HH].CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)O)Cl.[Na]
Synonym	meclofenamate sodium
IUPAC Name	2-(2,6-dichloro-3-methylanilino)benzoic acid;molecular hydrogen;sodium
InChI Key	JKTYCTJLWZYQGM-UHFFFAOYSA-N
Molecular Formula	C14H13Cl2NNaO2

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