basic_info |
|
| Product_Name: | PACTAMYCIN |
| CAS: | 23668-11-3 |
| EnglishSynonyms: | 2-HYDROXY-6-METHYLBENZOIC ACID [(1S,2R,3R,4S,5S)-5-[(3-ACETYLPHENYL)AMINO]-4-AMINO-3-[[(DIMETHYLAMINO)CARBONYL]AMINO]-1,2-DIHYDROXY-3-[(1S)-1-HYDROXYETHYL]-2-METHYLCYCLOPENTYL]METHYL ESTER ; PACTAMYCIN |
| pro_mdlNumber: | MFCD00158126 |
| pro_acceptors: | 12 |
| pro_donors: | 7 |
| pro_smile: | Cc1cccc(c1C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O)C)O)O |
| InChi: | InChI=1S/C28H38N4O8/c1-15-9-7-12-20(35)21(15)24(36)40-14-27(39)23(30-19-11-8-10-18(13-19)16(2)33)22(29)28(17(3)34,26(27,4)38)31-25(37)32(5)6/h7-13,17,22-23,30,34-35,38-39H,14,29H2,1-6H3,(H,31,37)/t17-,22-,23-,26-,27+,28-/m0/s1 |
| InChiKey: | InChIKey=WVIUOSJLUCTGFK-JUJPXXQGSA-N |
property |
|
secure_info |
|
| secure_symbol: |
GHS06
|
| secure_signal_word: | Danger |
| secure_risk_stmt: | H300-H315-H319-H335 |
| secure_cautionary_stmt: | P261-P264-P301 + P310-P305 + P351 + P338 |
| secure_damage_code: | T+ |
| secure_risk_disclosure_stmt: | R:28-36/37/38 |
| secure_security_stmt: | S:26-28-36/37-45 |
| secure_wgk_germany: | 3 |
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