Camptothecin Sodium
PubChem CID: 23705698
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| Compound Synonyms | Sodium camptothecin, 25387-67-1, Camptothecine sodium, Camptothecin sodium, 3L6CT9UWOM, SODIUM CAMPTOTHECINATE, 21,22-Secocamptothecin-21-oic acid, monosodium salt, sodium (S)-2-hydroxy-2-(8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl)butanoate, CHEMBL164269, INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, .ALPHA.-ETHYL-9,11-DIHYDRO-.ALPHA.-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-, MONOSODIUM SALT, (.ALPHA.S)-, INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, .ALPHA.-ETHYL-9,11-DIHYDRO-.ALPHA.-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-, MONOSODIUM SALT, (S)-, sodium (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-9H,11H-indolizino[1,2-b]quinolin-7-yl]butanoate, sodium, (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate, CAMPTOTHECIN, SODIUM SALT, NSC-100880, Indolizino[1,2-b]quinoline-7-acetic acid,a-ethyl-9,11-dihydro-a-hydroxy-8-(hydroxymethyl)-9-oxo-, monosodiumsalt, (aS)-, NSC100880, sodium camptothecin, AldrichCPR, ABA38767, HY-N8533, AKOS030524066, AS-75068, CS-0145886, C74317, 21,22-Secocamptothecin-21-oic acid, monosodium salt (8CI), INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, .ALPHA.-ETHYL-9,11-DIHYDRO-.ALPHA.-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-, SODIUM SALT (1:1), (.ALPHA.S)-, INDOLIZINO(1,2-B)QUINOLINE-7-ACETIC ACID, ALPHA-ETHYL-9,11-DIHYDRO-ALPHA-HYDROXY-8-(HYDROXYMETHYL)-9-OXO-, MONOSODIUM SALT, (ALPHAS)-, Indolizino(1,2-b)quinoline-7-acetic acid, alpha-ethyl-9,11-dihydro-alpha-hydroxy-8-(hydroxymethyl)-9-oxo-, monosodium salt, (S)-(9CI), SODIUM (2S)-2-HYDROXY-2-[8-(HYDROXYMETHYL)-9-OXO-11H-INDOLIZINO[1,2-B]QUINOLIN-7-YL]BUTANOATE |
|---|---|
| Topological Polar Surface Area | 114.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 736.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a., P11387, Q99714, Q16665, P00352, P15428, P08684, P05177 |
| Iupac Name | sodium, (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate |
| Prediction Hob | 1.0 |
| Target Id | NPT143, NPT149, NPT211, NPT94, NPT151, NPT109, NPT208 |
| Molecular Formula | C20H17N2NaO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HPSUBMDJBRNXKK-BDQAORGHSA-M |
| Fcsp3 | 0.25 |
| Logs | -3.429 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.168 |
| Compound Name | Camptothecin Sodium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.104 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 388.3 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H18N2O5.Na/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17, /h3-8,23,27H,2,9-10H2,1H3,(H,25,26), /q, +1/p-1/t20-, /m0./s1 |
| Smiles | CC[C@](C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)[O-])O.[Na+] |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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