 Home > Encyclopedia > 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,[4S-(4α,4aα,5aα,6β,12aα)]-,4-hydroxy-3-methoxybenzenesulfonate (1:1) (salt)

2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,[4S-(4α,4aα,5aα,6β,12aα)]-,4-hydroxy-3-methoxybenzenesulfonate (1:1) (salt)

2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,[4S-(4α,4aα,5aα,6β,12aα)]-,4-hydroxy-3-methoxybenzenesulfonate (1:1) (salt) structure

CAS No:
20228-26-6
Formula:
C22H24N2O8.C7H8O5S
Chemical Name:
2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,[4S-(4α,4aα,5aα,6β,12aα)]-,4-hydroxy-3-methoxybenzenesulfonate (1:1) (salt)
Synonyms:
Benzenesulfonic acid,4-hydroxy-3-methoxy-,compd. with (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1);Benzenesulfonic acid,4-hydroxy-3-methoxy-,compd. with 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1);Benzenesulfonic acid,4-hydroxy-3-methoxy-,compd. with 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1),[4S-(4α,4aα,5aα,6β,12aα)]-;Benzenesulfonic acid,4-hydroxy-3-methoxy-,compd. with 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide;2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,mono(4-hydroxy-3-methoxybenzenesulfonate) (salt);2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,[4S-(4α,4aα,5aα,6β,12aα)]-,4-hydroxy-3-methoxybenzenesulfonate (1:1) (salt);97951-07-0

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2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,[4S-(4α,4aα,5aα,6β,12aα)]-,4-hydroxy-3-methoxybenzenesulfonate (1:1) (salt) Basic Attributes

Molecular Weight：

648.63500

Exact Mass：

648.16251025

EC Number：

243-613-0

UNII：

05T77P89WE

Characteristics

PSA：

273.83000

XLogP3：

2.05760

Boiling Point：

682.8ºC

Flash Point：

366.7ºC

Vapor Pressure：

1.41E-19mmHg at 25°C

Computed Properties

Molecular Weight:648.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:4
Exact Mass:648.16251025
Monoisotopic Mass:648.16251025
Topological Polar Surface Area:274
Heavy Atom Count:45
Complexity:1230
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-,[4S-(4α,4aα,5aα,6β,12aα)]-,4-hydroxy-3-methoxybenzenesulfonate (1:1) (salt)

Basic Attributes
Characteristics
Computed Properties
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