Molecular Structure:
CCD No.:CCD01876943
ICI-D-1694 MONOHYDRATE
Formula:C21 H22 N4 O6 S . H2 O
MolWeight:476.508
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| Product Name： | ICI-D-1694 MONOHYDRATE |
| English Synonyms： | ICI-D-1694 MONOHYDRATE ; RALTITREXED MONOHYDRATE ; ZD-1694 MONOHYDRATE ; L-GLUTAMIC ACID, N-((5-(((1,4-DIHYDRO-2-METHYL-4-OXO-6-QUINAZOLINYL)METHYL)METHYLAMINO)-2-THIENYL)CARBONYL)-MONOHYDRATE |
| MDL Number.： | MFCD12828867 |
| H bond acceptor： | 10 |
| H bond donor： | 4 |
| Smile： | Cc1[nH]c(=O)c2cc(ccc2n1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.O |
| InChi： | InChI=1S/C21H22N4O6S.H2O/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27;/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28);1H2/t15-;/m0./s1 |
| InChiKey： | InChIKey=VADKIFZZQGWGDT-RSAXXLAASA-N |
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| Symbol： |
GHS06
GHS08
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| Signal word： | Danger |
| Hazard statements： | H300-H360 |
| Precautionary statements： | P201-P264-P301 + P310-P308 + P313 |
| hazard symbol： | T |
| Risk Code： | R:61-25 |
| Safe Code： | S:53-45 |
| WGK Germany： | 2 |
Basic Information
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