(2S,6R,14R,19S)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
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![(2S,6R,14R,19S)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e42998ac569a40548ec1db4347009c89.png "(2S,6R,14R,19S)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol")
(2S,6R,14R,19S)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
structure -
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CAS No:
94859-17-3
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Formula:
C24H30Cl2N2O3
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Chemical Name:
(2S,6R,14R,19S)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
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Synonyms:
7-(N,N-bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine;alpha-CAO;alpha-Cao;94859-17-3;7-(N,N-Bis(2-chloroethyl)amino)-6,14-endoethenotetrahydrooripavine;DTXSID40915240;14-[Bis(2-chloroethyl)amino]-7-methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-9-ol
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CAS No:
(2S,6R,14R,19S)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol Basic Attributes
465.4 g/mol
464.1633482 g/mol
Computed Properties
Molecular Weight:465.4
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:464.1633482
Monoisotopic Mass:464.1633482
Topological Polar Surface Area:45.2
Heavy Atom Count:31
Complexity:763
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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