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Pyranopyridines

Organic bicyclic compounds that consist of a pyran ring fused to a pyridine ring.
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1

Irinotecan hydrochloride trihydrate, 99%

CAS: 136572-09-3 Formula molecolare: C33H39ClN4O6 Molecular Weight (g/mol): 623.15 Numero MDL: MFCD01862255 InChI Key: GURKHSYORGJETM-WAQYZQTGSA-N Sinonimo: irinotecan hydrochloride,irinotecan hcl,topotecin,campto,cpt-11,cpt 11,camptothecin 11 hydrochloride,camptothecin 11,unii-06x131e4oe PubChem CID: 74990 ChEBI: CHEBI:5971 IUPAC Name: hydrogen (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate chloride SMILES: [H+].[Cl-].CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O

Sinonimo irinotecan hydrochloride,irinotecan hcl,topotecin,campto,cpt-11,cpt 11,camptothecin 11 hydrochloride,camptothecin 11,unii-06x131e4oe
Numero MDL MFCD01862255
PubChem CID 74990
Formula molecolare C33H39ClN4O6
CAS 136572-09-3
Molecular Weight (g/mol) 623.15
ChEBI CHEBI:5971
SMILES [H+].[Cl-].CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O
IUPAC Name hydrogen (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate chloride
InChI Key GURKHSYORGJETM-WAQYZQTGSA-N
2

Irinotecan hydrochloride trihydrate

CAS: 136572-09-3 Formula molecolare: HCl·3H2O Molecular Weight (g/mol): 677.18 InChI Key: KLEAIHJJLUAXIQ-JDRGBKBRSA-N Sinonimo: irinotecan hydrochloride trihydrate,irinotecan hcl trihydrate,cpt 11,unii-042laq1iis,campto,irinotecan hcl,042laq1iis,onivyde,cpt-11 PubChem CID: 60837 SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.O.O.O.Cl

Sinonimo irinotecan hydrochloride trihydrate,irinotecan hcl trihydrate,cpt 11,unii-042laq1iis,campto,irinotecan hcl,042laq1iis,onivyde,cpt-11
PubChem CID 60837
Formula molecolare HCl·3H2O
CAS 136572-09-3
Molecular Weight (g/mol) 677.18
SMILES CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.O.O.O.Cl
InChI Key KLEAIHJJLUAXIQ-JDRGBKBRSA-N
3

7-Ethyl-10-hydroxycamptothecin, 98%

CAS: 86639-52-3 Formula molecolare: C22H20N2O5 Molecular Weight (g/mol): 392.4 InChI Key: FJHBVJOVLFPMQE-QFIPXVFZSA-N Sinonimo: 7-ethyl-10-hydroxycamptothecin,sn 38 lactone,7-ethyl-10-hydroxy-camptothecin,10-hydroxy-7-ethylcamptothecin,7-ethyl-10-hydroxycamptothecine,le-sn38,7-ethyl-10-hydroxy-20 s-camptothecin,captothecin, 7-ethyl-10-hydroxy,s-4,11-diethyl-4,9-dihydroxy-1h-pyrano 3',4':6,7 indolizino 1,2-b quinoline-3,14 4h,12h-dione,7-ethyl-10-hydroxy camptothecin PubChem CID: 104842 ChEBI: CHEBI:8988 SMILES: CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)O

Sinonimo 7-ethyl-10-hydroxycamptothecin,sn 38 lactone,7-ethyl-10-hydroxy-camptothecin,10-hydroxy-7-ethylcamptothecin,7-ethyl-10-hydroxycamptothecine,le-sn38,7-ethyl-10-hydroxy-20 s-camptothecin,captothecin, 7-ethyl-10-hydroxy,s-4,11-diethyl-4,9-dihydroxy-1h-pyrano 3',4':6,7 indolizino 1,2-b quinoline-3,14 4h,12h-dione,7-ethyl-10-hydroxy camptothecin
PubChem CID 104842
Formula molecolare C22H20N2O5
CAS 86639-52-3
Molecular Weight (g/mol) 392.4
ChEBI CHEBI:8988
SMILES CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)O
InChI Key FJHBVJOVLFPMQE-QFIPXVFZSA-N
4

Irinotecan hydrochloride

CAS: 100286-90-6 Formula molecolare: C33H39ClN4O6 Molecular Weight (g/mol): 623.15 Numero MDL: MFCD01862255 InChI Key: GURKHSYORGJETM-WAQYZQTGSA-N Sinonimo: irinotecan hydrochloride,irinotecan hcl,topotecin,campto,cpt-11,cpt 11,camptothecin 11 hydrochloride,camptothecin 11,unii-06x131e4oe PubChem CID: 74990 ChEBI: CHEBI:5971 IUPAC Name: hydrogen (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate chloride SMILES: [H+].[Cl-].CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O

Sinonimo irinotecan hydrochloride,irinotecan hcl,topotecin,campto,cpt-11,cpt 11,camptothecin 11 hydrochloride,camptothecin 11,unii-06x131e4oe
Numero MDL MFCD01862255
PubChem CID 74990
Formula molecolare C33H39ClN4O6
CAS 100286-90-6
Molecular Weight (g/mol) 623.15
ChEBI CHEBI:5971
SMILES [H+].[Cl-].CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O
IUPAC Name hydrogen (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate chloride
InChI Key GURKHSYORGJETM-WAQYZQTGSA-N
5

(+)-Camptothecin, 98%

CAS: 3-4-7689 Formula molecolare: C20H16N2O4 Molecular Weight (g/mol): 348.35 Numero MDL: MFCD00081076 InChI Key: VSJKWCGYPAHWDS-FQEVSTJZSA-N Sinonimo: camptothecin,camptothecine,s-+-camptothecin,campathecin,+-camptothecine,d-camptothecin,20 s-camptothecine,+-camptothecin,21,22-secocamptothecin-21-oic acid lactone,s-camptothecin PubChem CID: 24360 ChEBI: CHEBI:27656 SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O

Sinonimo camptothecin,camptothecine,s-+-camptothecin,campathecin,+-camptothecine,d-camptothecin,20 s-camptothecine,+-camptothecin,21,22-secocamptothecin-21-oic acid lactone,s-camptothecin
Numero MDL MFCD00081076
PubChem CID 24360
Formula molecolare C20H16N2O4
CAS 3-4-7689
Molecular Weight (g/mol) 348.35
ChEBI CHEBI:27656
SMILES CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
InChI Key VSJKWCGYPAHWDS-FQEVSTJZSA-N
6

2,5-Dibromobenzotrifluoride, 98%, Thermo Scientific™

CAS: 7657-09-2 Numero MDL: MFCD00013554 IUPAC Name: 1,4-dibromo-2-(trifluoromethyl)benzene

Numero MDL MFCD00013554
CAS 7657-09-2
IUPAC Name 1,4-dibromo-2-(trifluoromethyl)benzene
7

Topotecan hydrochloride, Tocris Bioscience™
GREENER_CHOICE

CAS: 119413-54-6 Formula molecolare: C23H23N3O5 Molecular Weight (g/mol): 421.45 Numero MDL: MFCD28989044 InChI Key: UCFGDBYHRUNTLO-QHCPKHFHSA-N Sinonimo: topotecan hydrochloride,topotecan hcl,hycamptamine hydrochloride,topotecan monohydrochloride,unii-956s425zcy,topotecan hydrochloride usan,nogitecan hydrochloride,dsstox_cid_25952,dsstox_rid_81248 PubChem CID: 60699 IUPAC Name: (19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione SMILES: CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(CN(C)C)C(O)=CC=C4N=C13)C2=O

Sinonimo topotecan hydrochloride,topotecan hcl,hycamptamine hydrochloride,topotecan monohydrochloride,unii-956s425zcy,topotecan hydrochloride usan,nogitecan hydrochloride,dsstox_cid_25952,dsstox_rid_81248
Numero MDL MFCD28989044
PubChem CID 60699
Formula molecolare C23H23N3O5
CAS 119413-54-6
Molecular Weight (g/mol) 421.45
SMILES CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(CN(C)C)C(O)=CC=C4N=C13)C2=O
IUPAC Name (19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
InChI Key UCFGDBYHRUNTLO-QHCPKHFHSA-N