1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamide acetate (1:2)（CAS番号：16789-98-3）

1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamide acetate (1:2)

基本情報

編集器で閲覧

CAS番号

16789-98-3

分子式

C50H72N14O16S2

分子量

1189.34 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品アミン類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

密度

1.56

SMILES

編集器で閲覧

CC(=O)O.CC(=O)O.C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N

InChI

InChI=1S/C46H64N14O12S2.2C2H4O2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25;2*1-2(3)4/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52);2*1H3,(H,3,4)/t28-,29+,30+,31+,32+,33+,34+;;/m1../s1

InChIKey

GNASTRMPURYAFJ-VCCVNBJCSA-N

LogP

-3.9502300000000172

トポロジカル極性表面積

510.0099999999998 Å²

水素結合ドナー/アクセプター

20 / 30

複雑度

2070

安全情報

安全情報を表示

GHS危険象形図

H332

危険性の表示

H332 吸入すると有害
急性毒性（吸入）

同義語と引用データ

英語

Vasopressin, 1-(3-mercaptopropanoic acid)-8-D-arginine-, diacetate (salt)
Desmopressin diacetate anhydrous
acetic acid;(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Q27253805
1-Deamino-8-D-arginine-vasopressin diacetate
(S)-1-((4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-((R)-1-((2-amino-2-oxoethyl)amino)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide diacetate
Desmopressin diacetate
242K8LE2BC
Desmopressin acetate
UNII-242K8LE2BC
1-(3-MERCAPTOPROPIONIC ACID)-8-D-ARGININE-VASOPRESSIN DIACETATE (SALT)
Glycinamide, N-(3-mercapto-1-oxopropyl)-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-D-arginyl-, cyclic (1-->5)-disulfide, acetate (1:2)
Desmopressin Acetate(1:2)
16789-98-3
DESMOPRESSIN DIACETATE [WHO-DD]
3-MERCAPTOPROPIONYL-TYR-PHE-GLN-ASN-CYS-PRO-D-ARG-GLY-NH2 ACETATE SALT
DDAVP ACETATE
[DEAMINO-CYS1,D-ARG8]-VASOPRESSIN ACETATE SALT
DESMOPRESSIN MONOACETATE
Desmopressin
1-(3-mercaptopropionic acid)-8-d-arginine-vasopressin diacetate
1-deamino-8-d-arginine-vasopressin diacetate
ddavp
LKT Desmopressin
Desmopressin (ADH)
DESMORESSIN ACETATE
DDAVP, Desmopressin
DesMopressin (diacetate)
DESMOPRESSIN ACETATE SALT
acetic acid; N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminometh