16α-氰基孕酮

16α-氰基孕酮
	IUPAC名; 3β-Hydroxy-20-oxopregn-5-ene-16α-carbonitrile
	系统名; (1S,2R,3as,3bS,7S,9aR,9bS,11aS)-1-Acetyl-7-hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
识别
CAS号	1434-54-4
PubChem	15032
ChemSpider	14308
SMILES	CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C#N;
InChI	1/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1;
InChIKey	VSBHRRMYCDQLJF-ZDNYCOCVBP
IUPHAR配体	2762
性质
化学式	C22H31NO2
摩尔质量	341.49 g/mol g·mol⁻¹
	若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。

16α-氰基孕酮（英語：Pregnenolone 16α-carbonitrile，缩写为PCN）是一种含氮有机化合物，分子式C₂₂H₃₁NO₂，是一种人工合成的甾体类抗糖皮质激素（英语：Antiglucocorticoid），也是孕甾烷X受体（英语：Pregnane X receptor）的激动剂。^[1]^[2]^[3]

参考文献

^ J.I. Mason. Genetics of Steroid Biosynthesis and Function. CRC Press. 2 September 2003: 449–. ISBN 978-0-203-30149-4.
^ Giacinto Bagetta; Marco Cosentino; Marie Tiziana Corasaniti; Shinobu Sakurada. Herbal Medicines: Development and Validation of Plant-derived Medicines for Human Health. CRC Press. 19 April 2016: 250–. ISBN 978-1-4398-3769-6.
^ Larisa Y. Poluektova; J. Victor Garcia-Martinez; Yoshio Koyanagi; Markus G. Manz; Andrew M. Tager. Humanized Mice for HIV Research. Springer. 18 February 2015: 350–. ISBN 978-1-4939-1655-9.

16α-氰基孕酮

IUPAC名 3β-Hydroxy-20-oxopregn-5-ene-16α-carbonitrile
系统名 (1S,2R,3as,3bS,7S,9aR,9bS,11aS)-1-Acetyl-7-hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthrene-2-carbonitrile
识别
CAS号	1434-54-4 ^Y
PubChem	15032
ChemSpider	14308
SMILES	CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C#N
InChI	1/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1
InChIKey	VSBHRRMYCDQLJF-ZDNYCOCVBP
IUPHAR配体	2762
性质
化学式	C₂₂H₃₁NO₂
摩尔质量	341.49 g/mol g·mol⁻¹
若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。