홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

크레아틴인

2-Imino-1-methyl-4-imidazolidinone

HCID 137319715
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
60-27-5
표준 SMILES
CN1CC(=O)NC1=N
InChIKey
DDRJAANPRJIHGJ-UHFFFAOYSA-N
분자식
C4H7N3O
평균 분자량
113.12 g/mol
단동위원소 질량
113.05891184

개요

Creatinine has been used in trials studying the treatment of Amyotrophic Lateral Sclerosis.

이름 및 식별자

우선 이름
2-Imino-1-methyl-4-imidazolidinone
IUPAC
2-imino-1-methylimidazolidin-4-one
현지명
크레아틴인
영어명
Creatinine
분자식
C4H7N3O
분자량
113.12

이름 및 동의어

MFCD000597302-amino-1-methyl-4,5-dihydro-1H-imidazol-4-oneMethylguanidineacetic acidDTXCID6025987CAS-60-27-5imidazolidine, 2-imino-1-methyl-4-oxo-2-Amino-1-methyl-2-imidazolin-4-one; 2-Imino-1-methylimidazolidin-4-one; 2-Imino-N-methylhydantoin82016-55-5krebiozencreatinine tautomerCreatinine (VAN)2-imino-1-methyl-4-imidazolidinone
이름 더 보기
크레아티닌2-아미노-1,5-다이하이드로-1-메틸-4H-이미다졸-4-온크레아틴인2-아미노-1,5-디하이드로-1-메틸-4H-이미다졸-4-온2-아미노-1-메1-메틸하이단토인-2-이미드DADADiisopropylamine dichloroacetate1-METHYLHYDANTOIN-2-IMIDECREATININ2-IMINO-1-METHYLIMIDAZOLIDIN-4-ONE2-AMINO-1-METHYL-1,5-DIHYDRO-4H-IMIDAZOL-4-ONECubisolb-AnoxineatinineKREATININ
Creatinine (Standard)UNII-AYI8EX34EUSCHEMBL16295SCHEMBL288512orb1224507orb1310556SCHEMBL6453667SCHEMBL23777915

물성

구조 계산 물성

XLogP
-0.8
극성 표면적
56.2 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
8
형식 전하
0
복잡도
142

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP · 2건

-1.76

-1.76

Solubility80.1 mg/mL at 16 °C
Melting Point303 °C (decomposes)
Physical DescriptionSolid
Collision Cross Section · 6건

120.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

123.2 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

132.99 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

122.99 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

123.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

120.65 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

물리화학적 성질

녹는점
295 °C · 295 °C (dec.) (lit.)
끓는 점
211.83 °C · 211.83°C (rough estimate)
밀도
1.2526 · 1.2526 (rough estimate)
굴절률
1.57 · 1.5700 (estimate)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1789 8/PG 3
독성
A degradation product of creatine. Serum creatinine is elevated after eating meat. High serum creatinine may also be indicative of renal failure.
HS 번호
29332990
risk_code
34-36/37/38-20/21/22
hazard_code
Xi,Xn
safety_code
26-36/37/39-45-24/25-36
기존화학 물질
KE-01302
F 고인화성물질
9-23
스토리지 클래스
13 - Non Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsAdipose Tissue
Cellular LocationsCytoplasm
응용 분야 · 3건

개요Creatinine is together with urea, the most widely known "uremic toxin", and is usually assessed when- ever a reduction in kidney function is suspected. This is mainly because creatinine evaluation is cheap, widely accessible and relatively well reflects the renal function. It also forms the basis for estimation of estimated glomerular filtration rate (eGFR) and thus is a major component of all principal eGFR equations.Creatinine, which is nonenzymatically produced from the creatine pool in skeletal muscle, but is also to some extent generated from exogenous creatine present in meat, is the major guanidine compound retained in patients with diminished glomerular filtration rate. Creatinine is routinely determined in plasma or serum as a measure of impairment of renal function and it might be expected that a variety of uremic symptoms correlate with the plasma creatinine level; this does not, however, necessarily imply a causal relationship. In fact, high serum creatinine levels correlate with low mortality in HD patients, presumably because the creatinine generation rate reflects the size of the muscle mass. Creatinine seems to be relatively nontoxic. Large amounts of creatinine have been fed to healthy subjects without any adverse effects and animals also tolerate large doses.

용도Creatinine is the end product of creatine catabolism. Creatinine is a normal constituent of urine. Also found together with creatine in muscle tissues and blood. Creatinine is found in all soils and i n grain seeds and other vegetable matter as well as in certain fish and in crab meat extract.

일반 설명Creatinine is a breakdown product formed by the degradation of creatine phosphate from muscles. The kidneys extract creatinine from the body by filtering almost all of it from the blood and excreting it in the urine. Serum creatinine is the most commonly used indicator for renal functioning. In chemical synthesis, creatinine is used as a heterocyclic nitrogenous compound that produces electron-rich and highly basic creatinine derivatives.

상·하류 제품 정보

관련 반응

10건
반응 기록 만들기
HRID 120013 반응식
HRID 120013반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 155826 반응식
HRID 155826반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 293106 반응식
HRID 293106반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 675775 반응식
HRID 675775반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 683584 반응식
HRID 683584반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 821248 반응식
HRID 821248생성물로Test data from https://doi.org/10.1039/C8SC04228D
HRID 1120016 반응식
HRID 1120016반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1237285 반응식
HRID 1237285반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
1 / 2 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
60-27-5
PubChem CID
137319715
DTXSID
DTXSID8045987
Nikkaji
J1.397H
인화점
290 °C · 290 °C
저장 조건
Sealed in dry,Room Temperature
용해도
1 M · 1M HCl: 20°C에서 0.1 g/mL, 투명
산도 계수 (pKa)
4.83 · 4.83(at 25℃)
물리적 상태
결정성 분말
색상
하얀색
수소이온지수(pH)
7 · 7.0-9.0 (20°C, 50g/L in H2O)
수용성
녹는
Merck
14 · 14,2569
BRN
112061 · 112061
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능
피부 컨디셔닝
InChI
1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
InChIKey
DDRJAANPRJIHGJ-UHFFFAOYSA-N
SMILES
CN1CC(=O)N=C1N
LogP
-1.76 · -1.760
NIST
Creatinine(60-27-5)
EPA
4 H-Imidazol-4-one, · 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl- (60-27-5)

화학적 성질

white powder

상류 원료

크레아틴디클로로아세트산메틸에스테르다이아이소프로필아민아세트산-디이소프로필아마이드

하류 제품

Phenyl carbamate2-Amino-5,5-bis-hydroxymethyl-1-methyl-1,5-dihydro-imidazol-4-one

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海福之晟生物科技有限公司18049930630 · [email protected]
合肥瑞洛新材料科技有限公司19567218739 · [email protected]
杭州言鼎生物医药科技有限公司18989469219 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
斯百全化学(上海)有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
烟台傲嘉生物技术有限公司+86 13853510897 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
越林试剂021-62960152 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]

추가 설명

정의ChEBI: A lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine.