10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (Q106030523)

chemical compound

rel-(10S,11S)-10,11-dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide

Language	Label	Description	Also known as
English	10,11-trans-dihydroxy-10,11-dihydrocarbamazepine	chemical compound	rel-(10S,11S)-10,11-dihydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

270.100442308 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(10R,11R)-dihydroxy-10,11-dihydrocarbamazepine

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(10S,11S)-dihydroxy-10,11-dihydrocarbamazepine

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₁₄N₂O₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

N=C(O)N1c2ccccc2C(O)C(O)c2ccccc21

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

NC(=O)N1c2ccccc2[C@@H](O)[C@H](O)c2ccccc21

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m1/s1

1 reference

stated in

ChEBI release 2021-03-01

InChIKey

PRGQOPPDPVELEG-ZIAGYGMSSA-N

1 reference

stated in

ChEBI release 2021-03-01

CAS Registry Number

176486-10-5

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

ChEBI release 2021-03-01

matched by identifier from

InChIKey

PRGQOPPDPVELEG-ZIAGYGMSSA-N

ChEBI ID

83532

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m1/s1

83816

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m1/s1

1 reference

1 reference

matched by identifier from

InChIKey

PRGQOPPDPVELEG-ZIAGYGMSSA-N

10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (Q106030523)

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10,11-trans-dihydroxy-10,11-dihydrocarbamazepine (Q106030523)

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Wikiquote(0 entries)

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