Asoprisnil ecamate

Base Information

• Chemical Name: Asoprisnil ecamate
• CAS No.: 222732-94-7
• Molecular Formula: C31H40 N2 O5
• Molecular Weight: 520.6597
• UNII: 7JZY47BZJR
• DSSTox Substance ID: DTXSID701337166
• Wikipedia: Asoprisnil_ecamate
• NCI Thesaurus Code: C167031
• ChEMBL ID: CHEMBL2107728
• Mol file: 222732-94-7.mol

Synonyms:Asoprisnil ecamate;Asoprisnil ecamate [INN];222732-94-7;Carbamate J-956;UNII-7JZY47BZJR;7JZY47BZJR;J 956;163883-88-3;J-956;[(E)-[4-[(8S,11R,13S,14S,17S)-17-methoxy-17-(methoxymethyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] N-ethylcarbamate;Benzaldehyde, 4-[(11?,17?)-17-methoxy-17-(methoxymethyl)-3-oxoestra-4,9-dien-11-yl]-,;Asoprisnili ecamas;CARBAMAT J-956;CHEMBL2107728;DTXSID701337166;ASOPRISNIL ECAMATE [MART.];AKOS040747854;C31-H40-N2-O5;J-519599;11.BETA.-(4-((E)-(ETHYLCARBAMOYLOXYIMINO)METHYL)PHENYL)-17.BETA.-METHOXY-17.ALPHA.-(METHOXYMETHYL)ESTRA-4,9-DIEN-3-ONE;BENZALDEHYDE, 4-((11.BETA.,17.BETA.)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL)-, 1-(O-((ETHYLAMINO)CARBONYL)OXIME), (C(E))-

Chemical Property of Asoprisnil ecamate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 520.29372238
• Heavy Atom Count: 38
• Complexity: 1010

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCNC(=O)ON=CC1=CC=C(C=C1)C2CC3(C(CCC3(COC)OC)C4C2=C5CCC(=O)C=C5CC4)C
• Isomeric SMILES: CCNC(=O)O/N=C/C1=CC=C(C=C1)[C@H]2C[C@]3([C@@H](CC[C@]3(COC)OC)[C@H]4C2=C5CCC(=O)C=C5CC4)C

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