Organoheterocyclic compounds
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CGS 21680 hydrochloride, 99%
CAS: 120225-54-9 Molecular Formula: C23H30ClN7O6 Molecular Weight (g/mol): 535.986 MDL Number: MFCD11045878 InChI Key: QPHVMNOEKKJYJO-XWOZMEDYSA-N Synonym: cgs-21680 hydrochloride hydrate,3-4-2-6-amino-9-2r,3r,4s,5s-5-ethylcarbamoyl-3,4-dihydroxyoxolan-2-yl purin-2-yl amino ethyl phenyl propanoic acid hydrate hydrochloride,c23h29n7o6.clh.h2o,cgs-21680 hydrochloride hydrate, solid,2-p-2-carboxyethyl phenethylamino-5 inverted exclamation marka-n-ethylcarboxamidoadenosine hydrochloride hydrate PubChem CID: 133639586 IUPAC Name: 3-[4-[2-[[6-amino-9-[(2S,4S,5R)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl
| PubChem CID | 133639586 |
|---|---|
| CAS | 120225-54-9 |
| Molecular Weight (g/mol) | 535.986 |
| MDL Number | MFCD11045878 |
| SMILES | CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)NCCC4=CC=C(C=C4)CCC(=O)O)O)O.Cl |
| Synonym | cgs-21680 hydrochloride hydrate,3-4-2-6-amino-9-2r,3r,4s,5s-5-ethylcarbamoyl-3,4-dihydroxyoxolan-2-yl purin-2-yl amino ethyl phenyl propanoic acid hydrate hydrochloride,c23h29n7o6.clh.h2o,cgs-21680 hydrochloride hydrate, solid,2-p-2-carboxyethyl phenethylamino-5 inverted exclamation marka-n-ethylcarboxamidoadenosine hydrochloride hydrate |
| IUPAC Name | 3-[4-[2-[[6-amino-9-[(2S,4S,5R)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid;hydrochloride |
| InChI Key | QPHVMNOEKKJYJO-XWOZMEDYSA-N |
| Molecular Formula | C23H30ClN7O6 |
Ifenprodil hemitartrate, 99%
CAS: 23210-56-2 Molecular Formula: C21H27NO2 Molecular Weight (g/mol): 325.452 MDL Number: MFCD01529999 InChI Key: UYNVMODNBIQBMV-UHFFFAOYSA-N Synonym: ifenprodil,vadilex,ifenprodil tartrate,dilvax,creocral,ifenprodil inn:dcf,ifenprodilum inn-latin,unii-r8oe3p6o5s,4-2-4-benzylpiperidin-1-yl-1-hydroxypropyl phenol,r8oe3p6o5s PubChem CID: 3689 IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol SMILES: CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3
| PubChem CID | 3689 |
|---|---|
| CAS | 23210-56-2 |
| Molecular Weight (g/mol) | 325.452 |
| MDL Number | MFCD01529999 |
| SMILES | CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3 |
| Synonym | ifenprodil,vadilex,ifenprodil tartrate,dilvax,creocral,ifenprodil inn:dcf,ifenprodilum inn-latin,unii-r8oe3p6o5s,4-2-4-benzylpiperidin-1-yl-1-hydroxypropyl phenol,r8oe3p6o5s |
| IUPAC Name | 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol |
| InChI Key | UYNVMODNBIQBMV-UHFFFAOYSA-N |
| Molecular Formula | C21H27NO2 |
Prazosin hydrochloride
CAS: 19237-84-4 Molecular Formula: C19H22ClN5O4 Molecular Weight (g/mol): 419.87 MDL Number: MFCD00058177 InChI Key: WFXFYZULCQKPIP-UHFFFAOYSA-N Synonym: prazosin hydrochloride,prazosin hcl,minipress,vasoflex,peripress,furazosin hydrochloride,deprazolin,hypovase,hypovasole,pratsiol PubChem CID: 68546 ChEBI: CHEBI:8365 IUPAC Name: hydrogen 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine chloride SMILES: [H+].[Cl-].COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1
| PubChem CID | 68546 |
|---|---|
| CAS | 19237-84-4 |
| Molecular Weight (g/mol) | 419.87 |
| ChEBI | CHEBI:8365 |
| MDL Number | MFCD00058177 |
| SMILES | [H+].[Cl-].COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1 |
| Synonym | prazosin hydrochloride,prazosin hcl,minipress,vasoflex,peripress,furazosin hydrochloride,deprazolin,hypovase,hypovasole,pratsiol |
| IUPAC Name | hydrogen 2-[4-(furan-2-carbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine chloride |
| InChI Key | WFXFYZULCQKPIP-UHFFFAOYSA-N |
| Molecular Formula | C19H22ClN5O4 |
Amiloride hydrochloride dihydrate
CAS: 17440-83-4 Molecular Formula: C6H13Cl2N7O3 Molecular Weight (g/mol): 302.116 MDL Number: MFCD00058197 InChI Key: LTKVFMLMEYCWMK-UHFFFAOYSA-N Synonym: amiloride hydrochloride dihydrate,modamide,nirulid,amiloride hcl,amiloride hcl dihydrate,amilorid hydrochlorid-2-wasser,unii-fzj37245uc,amiloride hydrochloride usan:usp,amiloride dihydrate hydrochloride,n-amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride dihydrate PubChem CID: 68540 ChEBI: CHEBI:2640 IUPAC Name: 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;dihydrate;hydrochloride SMILES: C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.O.O.Cl
| PubChem CID | 68540 |
|---|---|
| CAS | 17440-83-4 |
| Molecular Weight (g/mol) | 302.116 |
| ChEBI | CHEBI:2640 |
| MDL Number | MFCD00058197 |
| SMILES | C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N.O.O.Cl |
| Synonym | amiloride hydrochloride dihydrate,modamide,nirulid,amiloride hcl,amiloride hcl dihydrate,amilorid hydrochlorid-2-wasser,unii-fzj37245uc,amiloride hydrochloride usan:usp,amiloride dihydrate hydrochloride,n-amidino-3,5-diamino-6-chloropyrazinecarboxamide hydrochloride dihydrate |
| IUPAC Name | 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;dihydrate;hydrochloride |
| InChI Key | LTKVFMLMEYCWMK-UHFFFAOYSA-N |
| Molecular Formula | C6H13Cl2N7O3 |
Paxilline, 97+%, Thermo Scientific Chemicals
CAS: 57186-25-1 Molecular Formula: C27H33NO4 Molecular Weight (g/mol): 435.564 MDL Number: MFCD00083464 InChI Key: ACNHBCIZLNNLRS-UBGQALKQSA-N Synonym: paxilline,unii-3t9u9z96l7,2h-1-benzopyrano 5',6':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta,2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2r,4bs,6as,12bs,12cr,14as,spectrum5_001975,paxilline, powder hplc,paxilline solution, 100 mug/ml in acetonitrile, analytical standard,2r,4bs,6as,12bs,12cr,14as-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one,ncgc00025342-07_c27h33no4_ 2r,4bs,6as,12bs,12cr,14as-4b-hydroxy-2-2-hydroxy-2-propanyl-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2h-chromeno 5',6':6,7 indeno 1,2-b indol-3 4bh-one PubChem CID: 105008 ChEBI: CHEBI:34907 SMILES: CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O
| PubChem CID | 105008 |
|---|---|
| CAS | 57186-25-1 |
| Molecular Weight (g/mol) | 435.564 |
| ChEBI | CHEBI:34907 |
| MDL Number | MFCD00083464 |
| SMILES | CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O |
| Synonym | paxilline,unii-3t9u9z96l7,2h-1-benzopyrano 5',6':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta,2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2r,4bs,6as,12bs,12cr,14as,spectrum5_001975,paxilline, powder hplc,paxilline solution, 100 mug/ml in acetonitrile, analytical standard,2r,4bs,6as,12bs,12cr,14as-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one,ncgc00025342-07_c27h33no4_ 2r,4bs,6as,12bs,12cr,14as-4b-hydroxy-2-2-hydroxy-2-propanyl-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2h-chromeno 5',6':6,7 indeno 1,2-b indol-3 4bh-one |
| InChI Key | ACNHBCIZLNNLRS-UBGQALKQSA-N |
| Molecular Formula | C27H33NO4 |
Imidazole, Molecular Biology Grade, 99+%, Thermo Scientific Chemicals
CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 SMILES: N1C=CN=C1
| PubChem CID | 795 |
|---|---|
| CAS | 288-32-4 |
| Molecular Weight (g/mol) | 68.08 |
| ChEBI | CHEBI:16069 |
| MDL Number | MFCD00005183 |
| SMILES | N1C=CN=C1 |
| Synonym | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
| InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
3-Thiophenemethanol, 97%
CAS: 71637-34-8 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00014534 InChI Key: BOWIFWCBNWWZOG-UHFFFAOYSA-N Synonym: 3-thiophenemethanol,3-thienylmethanol,thiophene-3-methanol,3-thiophene methanol,3-hydroxymethylthiophene,thien-3-ylmethanol,thiophen-3-yl methanol,3-thienylmethan-1-ol,3-hydroxymethyl thiophene,3-thiophenylmethanol PubChem CID: 123570 SMILES: OCC1=CSC=C1
| PubChem CID | 123570 |
|---|---|
| CAS | 71637-34-8 |
| Molecular Weight (g/mol) | 114.16 |
| MDL Number | MFCD00014534 |
| SMILES | OCC1=CSC=C1 |
| Synonym | 3-thiophenemethanol,3-thienylmethanol,thiophene-3-methanol,3-thiophene methanol,3-hydroxymethylthiophene,thien-3-ylmethanol,thiophen-3-yl methanol,3-thienylmethan-1-ol,3-hydroxymethyl thiophene,3-thiophenylmethanol |
| InChI Key | BOWIFWCBNWWZOG-UHFFFAOYSA-N |
| Molecular Formula | C5H6OS |
2-Amino-5-chlorothiazole hydrochloride, 97%
CAS: 55506-37-1 Molecular Formula: C3H4Cl2N2S Molecular Weight (g/mol): 171.04 MDL Number: MFCD00039006 InChI Key: GTMGFQYVLSQTKP-UHFFFAOYSA-N Synonym: 2-amino-5-chlorothiazole hydrochloride,5-chlorothiazol-2-amine hydrochloride,5-chloro-1,3-thiazol-2-amine hydrochloride,2-thiazolamine, 5-chloro-, monohydrochloride,5-chloro-2-thiazolamine hydrochloride,2-amino-5-chloro-1,3-thiazole hydrochloride,5-chlorothiazolamine hydrochloride,thiazole, 2-amino-5-chloro-hydrochloride,pubchem23694,c3h3cln2s.hcl PubChem CID: 148743 IUPAC Name: 5-chloro-1,3-thiazol-2-amine;hydrochloride SMILES: [H+].[Cl-].NC1=NC=C(Cl)S1
| PubChem CID | 148743 |
|---|---|
| CAS | 55506-37-1 |
| Molecular Weight (g/mol) | 171.04 |
| MDL Number | MFCD00039006 |
| SMILES | [H+].[Cl-].NC1=NC=C(Cl)S1 |
| Synonym | 2-amino-5-chlorothiazole hydrochloride,5-chlorothiazol-2-amine hydrochloride,5-chloro-1,3-thiazol-2-amine hydrochloride,2-thiazolamine, 5-chloro-, monohydrochloride,5-chloro-2-thiazolamine hydrochloride,2-amino-5-chloro-1,3-thiazole hydrochloride,5-chlorothiazolamine hydrochloride,thiazole, 2-amino-5-chloro-hydrochloride,pubchem23694,c3h3cln2s.hcl |
| IUPAC Name | 5-chloro-1,3-thiazol-2-amine;hydrochloride |
| InChI Key | GTMGFQYVLSQTKP-UHFFFAOYSA-N |
| Molecular Formula | C3H4Cl2N2S |
| CAS | 2563-07-7 |
|---|---|
| MDL Number | MFCD00043697 |
Tetrachlorobis(tetrahydrofuran)titanium(IV), 98%, Thermo Scientific Chemicals
CAS: 31011-57-1 Molecular Formula: C8H16Cl4O2Ti Molecular Weight (g/mol): 333.881 MDL Number: MFCD00077884 InChI Key: LXWBMENBONGPSB-UHFFFAOYSA-J Synonym: tetrachlorobis tetrahydrofuran titanium,tetrachlorobis tetrahydrofuran titanium iv,bis tetrahydrofuran ; titanium tetrachloride,titanium iv chloride tetrahydrofuran complex PubChem CID: 10958563 IUPAC Name: oxolane;tetrachlorotitanium SMILES: C1CCOC1.C1CCOC1.Cl[Ti](Cl)(Cl)Cl
| PubChem CID | 10958563 |
|---|---|
| CAS | 31011-57-1 |
| Molecular Weight (g/mol) | 333.881 |
| MDL Number | MFCD00077884 |
| SMILES | C1CCOC1.C1CCOC1.Cl[Ti](Cl)(Cl)Cl |
| Synonym | tetrachlorobis tetrahydrofuran titanium,tetrachlorobis tetrahydrofuran titanium iv,bis tetrahydrofuran ; titanium tetrachloride,titanium iv chloride tetrahydrofuran complex |
| IUPAC Name | oxolane;tetrachlorotitanium |
| InChI Key | LXWBMENBONGPSB-UHFFFAOYSA-J |
| Molecular Formula | C8H16Cl4O2Ti |
5-Amino-1H-indazole, 98%
CAS: 19335-11-6 Molecular Formula: C7H7N3 Molecular Weight (g/mol): 133.154 MDL Number: MFCD00037975 InChI Key: XBTOSRUBOXQWBO-UHFFFAOYSA-N Synonym: 5-aminoindazole,5-amino-1h-indazole,2h-indazol-5-amine,5-indazolamine,1h-indazole-5-amine,1h-indazol-5-ylamine,indazol-5-ylamine,1h-indazole, 5-amino,5-aminobenzopyrazole,5-amino-indazole PubChem CID: 88012 IUPAC Name: 1H-indazol-5-amine SMILES: C1=CC2=C(C=C1N)C=NN2
| PubChem CID | 88012 |
|---|---|
| CAS | 19335-11-6 |
| Molecular Weight (g/mol) | 133.154 |
| MDL Number | MFCD00037975 |
| SMILES | C1=CC2=C(C=C1N)C=NN2 |
| Synonym | 5-aminoindazole,5-amino-1h-indazole,2h-indazol-5-amine,5-indazolamine,1h-indazole-5-amine,1h-indazol-5-ylamine,indazol-5-ylamine,1h-indazole, 5-amino,5-aminobenzopyrazole,5-amino-indazole |
| IUPAC Name | 1H-indazol-5-amine |
| InChI Key | XBTOSRUBOXQWBO-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3 |
1,2-Epoxy-7-octene, 97%
CAS: 19600-63-6 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00005156 InChI Key: UKTHULMXFLCNAV-UHFFFAOYSA-N Synonym: 1,2-epoxy-7-octene,oxirane, 5-hexenyl,5-hexenyloxirane,7,8-epoxyoctene,ccris 3749,2-hex-5-en-1-yl oxirane,oxirane, 5-hexenyl-, s,2-hex-5-en-yloxirane,2-5-hexenyl oxirane,acmc-20ap64 PubChem CID: 29678 IUPAC Name: 2-hex-5-enyloxirane SMILES: C=CCCCCC1CO1
| PubChem CID | 29678 |
|---|---|
| CAS | 19600-63-6 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00005156 |
| SMILES | C=CCCCCC1CO1 |
| Synonym | 1,2-epoxy-7-octene,oxirane, 5-hexenyl,5-hexenyloxirane,7,8-epoxyoctene,ccris 3749,2-hex-5-en-1-yl oxirane,oxirane, 5-hexenyl-, s,2-hex-5-en-yloxirane,2-5-hexenyl oxirane,acmc-20ap64 |
| IUPAC Name | 2-hex-5-enyloxirane |
| InChI Key | UKTHULMXFLCNAV-UHFFFAOYSA-N |
| Molecular Formula | C8H14O |
3,5-Dichloropyridine, 98%
CAS: 2457-47-8 Molecular Formula: C5H3Cl2N Molecular Weight (g/mol): 147.99 MDL Number: MFCD00006376 InChI Key: WPGHPGAUFIJVJF-UHFFFAOYSA-N Synonym: pyridine, 3,5-dichloro,ccris 1719,3.5-dichloropyridine,3,5-dichloro pyridine,3,5-dichloro-pyridine,pubchem13506,acmc-1cqt0,wln: t6nj cg eg,5-20-05-00417 beilstein handbook reference,ksc493c0d PubChem CID: 17153 IUPAC Name: 3,5-dichloropyridine SMILES: ClC1=CC(Cl)=CN=C1
| PubChem CID | 17153 |
|---|---|
| CAS | 2457-47-8 |
| Molecular Weight (g/mol) | 147.99 |
| MDL Number | MFCD00006376 |
| SMILES | ClC1=CC(Cl)=CN=C1 |
| Synonym | pyridine, 3,5-dichloro,ccris 1719,3.5-dichloropyridine,3,5-dichloro pyridine,3,5-dichloro-pyridine,pubchem13506,acmc-1cqt0,wln: t6nj cg eg,5-20-05-00417 beilstein handbook reference,ksc493c0d |
| IUPAC Name | 3,5-dichloropyridine |
| InChI Key | WPGHPGAUFIJVJF-UHFFFAOYSA-N |
| Molecular Formula | C5H3Cl2N |
3-Methyl-1H-pyrazole, 97%
CAS: 1453-58-3 Molecular Formula: C4H6N2 Molecular Weight (g/mol): 82.11 MDL Number: MFCD00005240,MFCD08685900 InChI Key: XKVUYEYANWFIJX-UHFFFAOYSA-N PubChem CID: 15073 IUPAC Name: 5-methyl-1H-pyrazole SMILES: CC1=CC=NN1
| PubChem CID | 15073 |
|---|---|
| CAS | 1453-58-3 |
| Molecular Weight (g/mol) | 82.11 |
| MDL Number | MFCD00005240,MFCD08685900 |
| SMILES | CC1=CC=NN1 |
| IUPAC Name | 5-methyl-1H-pyrazole |
| InChI Key | XKVUYEYANWFIJX-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2 |