(2S,6S,14S,19R)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-prop-2-enyl-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,6S,14S,19R)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-prop-2-enyl-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/20220812/d60b0c3d09fd4e3ca2098bc4d58304d4.png "(2S,6S,14S,19R)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-prop-2-enyl-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,6S,14S,19R)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-prop-2-enyl-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:
123553-00-4
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Formula:
C26H32Cl2N2O3
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Chemical Name:
(2S,6S,14S,19R)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-prop-2-enyl-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:
A-alpha-CAO;N-allyl-7-N,N-bis(beta-chloroethyl)amino-6,14-endoethenotetrahydronororipavine;123553-00-4;DTXSID40924534;14-[Bis(2-chloroethyl)amino]-7-methoxy-3-(prop-2-en-1-yl)-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,6S,14S,19R)-19-[bis(2-chloroethyl)amino]-15-methoxy-5-prop-2-enyl-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
491.4 g/mol
490.1789983 g/mol
Computed Properties
Molecular Weight:491.4
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:490.1789983
Monoisotopic Mass:490.1789983
Topological Polar Surface Area:45.2
Heavy Atom Count:33
Complexity:821
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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