(Q27213456)

English

4-chloro-N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

chemical compound

In more languages

Statements

type of chemical entity

0 references

chemical compound

0 references

595.248±0 dalton

1 reference

language of work or name

BRD-K04399953-001-01-2 (English)

11 October 2016

stereoisomer of

4-chloro-N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-chloro-N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-chloro-N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

1 reference

based on heuristic

inferred from InChIKey

4-chloro-N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-chloro-N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-chloro-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-chloro-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

1 reference

based on heuristic

inferred from InChI

4-chloro-N-[(3S,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

1 reference

based on heuristic

inferred from InChI

4-chloro-N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

1 reference

based on heuristic

inferred from InChI

4-chloro-N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

1 reference

based on heuristic

inferred from InChI

4-chloro-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

1 reference

based on heuristic

inferred from InChI

4-chloro-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

1 reference

based on heuristic

inferred from InChI

4-chloro-N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

1 reference

based on heuristic

inferred from InChI

4-chloro-N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₂ClN₃O₆S

1 reference

language of work or name

BRD-K04399953-001-01-2 (English)

11 October 2016

canonical SMILES

CC1CCCCOC(C(CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)C(C)CO)C)CN(C)C

1 reference

language of work or name

BRD-K04399953-001-01-2 (English)

11 October 2016

isomeric SMILES

C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)[C@@H](C)CO)C)CN(C)C

1 reference

language of work or name

BRD-K04399953-001-01-2 (English)

11 October 2016

Identifiers

InChI=1S/C29H42ClN3O6S/c1-20-17-33(21(2)19-34)29(35)26-16-24(31-40(36,37)25-12-9-23(30)10-13-25)11-14-27(26)39-22(3)8-6-7-15-38-28(20)18-32(4)5/h9-14,16,20-22,28,31,34H,6-8,15,17-19H2,1-5H3/t20-,21+,22-,28+/m1/s1

1 reference

language of work or name

BRD-K04399953-001-01-2 (English)

11 October 2016

GOBHPVUGCFRQAG-LLTQPOKBSA-N

2 references

language of work or name

BRD-K04399953-001-01-2 (English)

11 October 2016

ChEBI release 2020-09-01

2 references

language of work or name

BRD-K04399953-001-01-2 (English)

11 October 2016

matched by identifier from

GOBHPVUGCFRQAG-LLTQPOKBSA-N

mapping relation type

2 references

language of work or name

4-chloro-N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide (English)

11 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C29H42ClN3O6S/c1-20-17-33(21(2)19-34)29(35)26-16-24(31-40(36,37)25-12-9-23(30)10-13-25)11-14-27(26)39-22(3)8-6-7-15-38-28(20)18-32(4)5/h9-14,16,20-22,28,31,34H,6-8,15,17-19H2,1-5H3/t20-,21+,22-,28+/m1/s1

UniChem compound ID

1 reference

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