 | | COMPOUND: C07534 | |
| Entry |
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| Name |
Ethynyl estradiol;
17alpha-Ethinyl estradiol;
Ethinyl estradiol;
Ethinylestradiol
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| Formula |
C20H24O2
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| Exact mass |
296.1776
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| Mol weight |
296.4034
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| Structure |
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| Remark |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C07534 17alpha-Ethinyl estradiol
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03C ESTROGENS
G03CA Natural and semisynthetic estrogens, plain
G03CA01 Ethinylestradiol
D00554 Ethinyl estradiol (USP) <JP>
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 ENDOCRINE THERAPY
L02A HORMONES AND RELATED AGENTS
L02AA Estrogens
L02AA03 Ethinylestradiol
D00554 Ethinyl estradiol (USP) <JP>
USP drug classification [BR:br08302]
Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
Estrogens
Ethinyl Estradiol
D00554 Ethinyl estradiol (USP)
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
24 Hormones
247 Estrogen and progesterone preparations
2474 Ethinylestradiols
D00554 Ethinyl estradiol (USP); Ethinylestradiol (JP18/INN)
Classification of Japanese OTC drugs [BR:br08313]
Drugs for women
51 Other drugs for women
D00554 Ethinyl estradiol (USP)
Risk category of Japanese OTC drugs [BR:br08312]
Designated second-class OTC drugs
Inorganic and organic chemicals
Ethinylestradiol
D00554 Ethinyl estradiol (USP)
Second-class OTC drugs
Inorganic and organic chemicals
Ethinylestradiol
D00554 Ethinyl estradiol (USP)
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00461 Ethinylestradiol
D00554 Ethinyl estradiol
DG01584 Estrogen receptor agonist
DG00461 Ethinylestradiol
D00554 Ethinyl estradiol
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00461 Ethinylestradiol
D00554 Ethinyl estradiol
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01522 CYP3A4 inhibitor
DG00461 Ethinylestradiol
D00554 Ethinyl estradiol
Drug classes [BR:br08332]
Endocrine and hormonal agent
DG01986 Estrogen
D00554 Ethinyl estradiol
DG01584 Estrogen receptor agonist
D00554 Ethinyl estradiol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A1 (ESR1)
D00554 Ethinyl estradiol (USP) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D00554 Ethinylestradiol
D00554 Ethinylestradiol tablets
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00554
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| Other DBs |
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| KCF data |
ATOM 22
1 C1y C 23.6148 -17.2960
2 C1z C 23.6031 -15.9647
3 C1y C 22.4587 -17.9909
4 C1x C 25.9328 -17.2726
5 C1z C 24.7534 -15.2815
6 C1x C 22.4295 -15.3048
7 C1a C 23.5565 -14.6158
8 C1y C 21.2967 -17.3310
9 C1x C 22.4878 -19.3338
10 C1x C 25.9153 -15.9356
11 C3b C 25.8044 -14.6158
12 C1x C 21.2791 -15.9938
13 C8y C 20.1405 -18.0258
14 C1x C 21.3318 -20.0345
15 C3a C 26.8612 -13.9444
16 C8y C 20.1582 -19.3687
17 C8x C 18.9495 -17.3718
18 C8x C 19.0079 -20.0811
19 C8x C 17.7876 -18.0725
20 C8y C 17.8167 -19.4331
21 O1a O 16.6607 -20.1337
22 O1a O 24.7534 -13.6015
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1
9 4 10 1
10 5 11 1 #Down
11 6 12 1
12 8 13 1
13 9 14 1
14 11 15 3
15 13 16 2
16 13 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 20 21 1
21 5 10 1
22 8 12 1
23 14 16 1
24 19 20 1
25 5 22 1 #Up
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