简介名称和标识符别名信息物化性质生产方法和用途相关文献专业数据库参考相关产品

卡莫司他 | 59721-28-7

中文名称：卡莫司他

英文名称： Camostat

CAS No.： 59721-28-7

分子式： C₂₀H₂₂N₄O₅

分子量： 398.41248

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：卡莫司他结构式

PubChem CID： 2536

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简介

卡莫司他Camostat Mesilate，化学式是C21H26N4O8S，分子量是398.42。

名称和标识符

MDL	MFCD00941410
InChIKey	XASIMHXSUQUHLV-UHFFFAOYSA-N
Inchi	InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
SMILES	O=C(OC1=CC=C(CC(OCC(N(C)C)=O)=O)C=C1)C2=CC=C(NC(N)=N)C=C2

别名信息

- 中文别名 -

卡莫司他
2-(二甲基氨基)-2-氧代乙基 4-(4-胍基苯甲酰氧基)苯乙酸酯
甲磺酸卡莫司他
卡模司特
N,N-二甲基氨基甲酰基甲基-P(P-胍基苯甲酰氧基)苯乙酸酯

苯乙酸,4-[[4-[(氨基亚氨基甲基)氨基]苯甲酰基]氧基]-,2-(二甲胺基)-2-氧代乙酯
卡莫司他
2-(二甲基氨基)-2-氧代乙基 4-(4-胍基苯甲酰氧基)苯乙酸酯

- 英文别名 -

Camostat
2-(Dimethylamino)-2-oxoethyl 4-(4-guanidinobenzoyloxy)phenylacetate
[4-[2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate
CAMOSTAT MESILATE
Camostat [INN]

camostate
Camostatum [INN-Latin]
Dimethylcarbamoylmethyl 4-(4-guqnidinobenzoyloxy)phenylacetat
FOY-305
foypan
N,N-ddimethylcarbamoylmethyl p-(p-guanidinobenzoyloxy)phenylacetate
N,N-dimethyl-carbamoylmethyl-p-(p-guanidinobenzoyloxy)-phenylacetate
p-(p-guanidinobenzoyloxy)phenylacetic acid N,N-dimethylcarbamoylmethyl ester
4-(2-(2-(Dimethylamino)-2-oxoethoxy)-2-oxoethyl)phenyl 4-guanidinobenzoate
0FD207WKDU
Foipan
Camostat (INN)
CHEMBL85164
BCP22042
NCGC00167526-01
US9199927, camostat
FT-0630715
N,N-dimethyl carbamoylmethyl-p-(p-guanidinobenzoyloxy) phenyl-acetate
benzeneacetic acid,4-((4-((aminoiminomethyl)amino)benzoyl)oxy)-,2-(dimethylamino)-2-oxoethyl ester
SCHEMBL125269
NS00126543
CHEBI:135632
NCGC00167526-03
4-(2-(2-(Dimethylamino)-2-oxoethoxy)-2-oxoethyl)phenyl4-guanidinobenzoate
CHEMBL590799
Q5026909
D07606
camostat-mesilate
BDBM50424712
[4-[2-(2-dimethylamino-2-oxoethoxy)-2-oxoethyl]phenyl] 4-(diaminomethylideneamino)benzoate
EX-A5738
p-Guanidinobenzoic acid, ester with (p-hydroxyphenyl)acetic acid, ester with N,N-dimethylglycolamide
UNII-0FD207WKDU
GTPL6432
BCP9000475
CAMOSTAT [WHO-DD]
DB13729
BDBM193418
CCRIS 7219
4-Guanidino-benzoic acid 4-dimethylcarbamoylmethoxycarbonylmethyl-phenyl ester
compound with methanesulfonic acid
DTXSID6044010
4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoate
59721-28-7
CAMOSTAT [MI]
2-(Dimethylamino)-2-oxoethyl4-(4-guanidinobenzoyloxy)phenylacetate
BDBM50031706
Camostatum

物化性质

实验特性

LogP	2.25810
PSA	134.81000
折射率	1.596
沸点	634.6 °C at 760 mmHg
熔点	194-198℃
闪点	337.6 °C
颜色与性状	结晶粉末
密度	1.28

计算特性

精确分子量	398.15900
氢键供体数量	2
氢键受体数量	6
可旋转化学键数量	9
同位素质量	398.15902
重原子数量	29
复杂度	602
同位素原子数量	0
确定原子立构中心数量	0
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	1.1
互变异构体数量	4
表面电荷	0
拓扑分子极性表面积	137

生产方法和用途

生产方法	对羟基苯乙酸和N，N-二甲基溴乙酰胺，在乙腈和三乙胺中反应，得到化合物(I)。然后和4-胍基苯甲酰氯反应，得到卡莫司他。

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专业数据库参考

PubChemId	2536

卡莫司他 | 59721-28-7

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