doxycycline hydrochloride hemiethanolate hemihydrate (Q27116248)

Doxycycline Hyclate (English)

17 November 2016

chemical formula

C₄₆H₅₈Cl₂N₄O₁₈

0 references

canonical SMILES

CCO.CC1C2=CC=CC(=C2C(=O)C3=C(C4(C(C(C13)O)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O.CC1C2=CC=CC(=C2C(=O)C3=C(C4(C(C(C13)O)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O.O.Cl.Cl

1 reference

doxycycline hyclate (English)

17 November 2016

isomeric SMILES

CCO.C[C@H]1C2=CC=CC(=C2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O.C[C@H]1C2=CC=CC(=C2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O.O.Cl.Cl

1 reference

doxycycline hyclate (English)

17 November 2016

subject has role

developmental toxicant

start time

1 October 1991

1 reference

California Proposition 65 list of chemicals

https://oehha.ca.gov/chemicals/doxycycline-hyclate

26 February 2020

reference URL

Identifiers

InChI

InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);3H,2H2,1H3;2*1H;1H2/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1

1 reference

doxycycline hyclate (English)

HALQELOKLVRWRI-VDBOFHIQSA-N

17 November 2016

InChIKey

2 references

doxycycline hyclate (English)

17 November 2016

ChEBI release 2020-09-01

CAS Registry Number

24390-14-5

1 reference

doxycycline hyclate (English)

17 November 2016

1 reference

Doxycycline Hyclate (English)

17 November 2016

Reaxys registry number

14669767

1 reference

doxycycline hyclate (English)

6 October 2016

ChEBI ID

34730

mapping relation type

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

doxycycline hyclate (English)

6 October 2016

1 reference

DSSTOX compound identifier

0 references

0 references

607-368-7

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.106.555

27 December 2018

ECHA Substance Infocard ID

(2E,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; ethanol; hydrate; dihydrochloride (English)

quotation

CAS no.: 24390-14-5 (English)

100.106.555

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.106.555

27 December 2018

AICS Chemical ID (BEING DELETED)

(2E,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; ethanol; hydrate; dihydrochloride (English)

quotation

CAS no.: 24390-14-5 (English)

0 references

1 reference