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Cuprate(1-), ((3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen (1:1), (SP-4-2)-

HCID 167809
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
19426-70-1
표준 SMILES
C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[n-]c4c(c3C)=C([O-])C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)[O-])C(CC)=C1C.[Cu+2].[H+]
InChIKey
YHWYWUOREIAFEI-UHFFFAOYSA-L
분자식
C35H34CuN4O5
평균 분자량
654.2 g/mol
단동위원소 질량
653.182517

이름 및 식별자

우선 이름
Cuprate(1-), ((3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen (1:1), (SP-4-2)-
IUPAC
copper;3-(16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)propanoate;hydron
영어명
hydrogen [3S-(3alpha,4beta,21beta)]-[14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionato(3-)-N23,N24,N25,N26]cuprate(1-)
분자식
C35H34CuN4O5
분자량
654.23

이름 및 동의어

Cuprate(1-), ((3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen (1:1), (SP-4-2)-RefChem:579552Cuprate(1-), [(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, hydrogen (1:1), (SP-4-2)-EINECS 243-045-319426-70-1Copper;3-(16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)propanoate;hydronCu(ii) pheophorbide aCuprate(1-), ((3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen, (SP-4-2)-Cuprate(1-), [(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, hydrogen, (SP-4-2)-Hydrogen (3S-(3alpha,4beta,21beta))-(14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionato(3-)-N23,N24,N25,N26)cuprate(1-)Hydrogen [3S-(3?,4?,21?)]-[14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionato(3-)-N23,N24,N25,N26]cuprate(1-)hydrogen [3S-(3alpha,4beta,21beta)]-[14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionato(3-)-N23,N24,N25,N26]cuprate(1-)

데이터베이스 식별자

CAS
19426-70-1
PubChem CID
167809
EC Number
243-045-3

물성

구조 계산 물성

극성 표면적
128 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
6
무거운 원자 수
45
형식 전하
0
복잡도
1,810

물리화학적 성질

EPA
1 · Cuprate(1-), [(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, hydrogen, (SP-4-2)- (19426-70-1)

안전 및 규제

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

안전 데이터

tsca
TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing InformationCuprate(1-), [(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, hydrogen (1:1), (SP-4-2)-: INACTIVE

공급사1 곳

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