Norelgestromin (USAN:INN:BAN)

HCID 9568628CAS 74183-55-4
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Basic information

Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC
InChIKey
ISHXLNHNDMZNMC-VTKCIJPMSA-N
Molecular formula
C21H29NO2
Average molar mass
327.5 g/mol

Overview

Norelgestromin is a steroid. It derives from a hydride of an estrane.

Names & identifiers

Preferred name
Norelgestromin (USAN:INN:BAN)
IUPAC
(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol

Names & synonyms

Norelgestromin (USAN:INN:BAN)RefChem:1092581anti-Norelgestromin74183-55-4(E)-17-Deacetylnorgestimate((E)-Norelgestromin)17-Desacetyl NorgestimateNorelgestromin, (E)-UM2XKY25DH17-Deacetylnorgestimate, (E)-(3Z)-17-Desacetyl NorgestimateUNII-UM2XKY25DH
Show more names
Norgestimate impurity C [EP]Ortho EvraNorgestimate metabolite Norelgestromin(3E,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol(3E)-13beta-Ethyl-3-(hydroxyimino)-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, oxime, (3E,17alpha)-(8R,9S,10R,13S,14S,17R,E)-13-ethyl-17-ethynyl-17-hydroxy-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one oximeNorgestimate EP Impurity C

Database identifiers

CAS
74183-55-4
PubChem CID
9568628
ChEBI
CHEBI:135398
UNII
UM2XKY25DH
Nikkaji
J968.614B

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
52.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
24

Chemistry & industry

Pharmacology

ATC CodeG03AA13

Related reactions

1 records
New reaction record

Linked notes

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